SCHEMBL1476523

SCHEMBL1476523

Fc1ccc(CN2CCC(CNCC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.65
SLC6A4 P31645 3/20 0.65
CXCR4 P61073 1/20 0.58
CACNA1G O43497 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4848632 0.89 CXCR4 (0.59) CXCR4
SCHEMBL2989347 0.81 SLC6A3 (0.66) SLC6A3SLC6A4
SCHEMBL1505942 0.80 CACNA1G (0.62) SLC6A3SLC6A4CACNA1G
SCHEMBL1506433 0.77 SLC6A4 (0.80) SLC6A3SLC6A4
SCHEMBL1506434 0.77 SLC6A4 (0.80) SLC6A3SLC6A4
SCHEMBL4850211 0.77 CXCR4 (0.57) SLC6A3SLC6A4CXCR4
SCHEMBL16226670 0.77 SLC6A3 (1.00) SLC6A3SLC6A4
SCHEMBL10292149 0.76 SLC6A3 (0.57) SLC6A3SLC6A4
SCHEMBL2983151 0.75 SLC6A3 (0.79) SLC6A3SLC6A4
SCHEMBL7373431 0.74 KDM4E (0.66) SLC6A3SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225133-A1 N-and o-substituted 4-[2-( diphenylmethoxy) -ethyl]-1- (phenyl) methyl) piperidine analogs and methods of treating cns disorders therewith NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-04 US claimed
US-8937189-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-ol and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-ol analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2015-01-20 US disclosed
EP-1734948-B1 TRI-SUBSTITUED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES UNIV WAYNE STATE (US) 2014-06-11 EP disclosed
US-20140058120-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2014-02-27 US disclosed
US-8519159-B2 Tri-substituted 2-benzhydryl-5-benzylamino-tetrahydro-pyran-4-OL and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-OL analogues, and novel 3,6-disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2013-08-27 US disclosed
US-8211916-B2 Central nervous system disorders; drug abuse; Parkinson's disease; antidepressants WAYNE STATE UNIVERSITY (US) 2012-07-03 US disclosed
US-8211916-B2 Central nervous system disorders; drug abuse; Parkinson's disease; antidepressants WAYNE STATE UNIVERSITY (US) 2012-07-03 US disclosed
US-7915433-B2 Tri-substituted 2-benzhydryl 5-benzlamino-tetrahydro-pyran-4-OL and 6-benzhydryl-4-benzylamino-tetrahydro-pyran-3-OL analogues, and novel 3,6 disubstituted pyran derivatives WAYNE STATE UNIVERSITY (US) 2011-03-29 US disclosed
EP-2291378-A2 N- AND O-SUBSTITUTED 4-Ý2-(DIPHENYLMETHOXY)-ETHYL¨-1-Ý(PHENYL)METHYL¨PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2011-03-09 EP disclosed
US-20100280091-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISBUSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2010-11-04 US disclosed
US-7595331-B2 N-and O-substituted 4-[2-(diphenylmethoxy)-ethyl]-1-[(phenyl)methyl]piperidine analogs and methods of treating CNS disorders therewith WAYNE STATE UNIVERSITY (US) 2009-09-29 US disclosed
US-7595331-B2 N-and O-substituted 4-[2-(diphenylmethoxy)-ethyl]-1-[(phenyl)methyl]piperidine analogs and methods of treating CNS disorders therewith WAYNE STATE UNIVERSITY (US) 2009-09-29 US disclosed
WO-2009094428-A2 N- AND O-SUBSTITUTED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2009-07-30 WO disclosed
US-20080182991-A1 N- AND O-SUBSTITUED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2008-07-31 US disclosed
US-20080182991-A1 N- AND O-SUBSTITUED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2008-07-31 US disclosed
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES WAYNE STATE UNIVERSITY (US) 2007-11-29 US disclosed
US-6995268-B2 N- and O-substituted 4-[2-(diphenylmethoxy)-ethyl]-1- (phenyl) methyl) piperidine analogs and methods of treating CNS disorders therewith WAYNE STATE UNIVERSITY (US) 2006-02-07 US disclosed
US-20050154021-A1 N-and O-substituted 4-[2-(diphenylmethoxy)-ethyl]-1-[(phenyl)methyl]piperidine analogs and methods of treating CNS disorders therewith WAYNE STATE UNIVERSITY (US) 2005-07-14 US disclosed
US-20030225133-A1 N-and o-substituted 4-[2-( diphenylmethoxy) -ethyl]-1- (phenyl) methyl) piperidine analogs and methods of treating cns disorders therewith NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-12-04 US disclosed
WO-2001098266-A2 N-AND O-SUBSTITUTED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH WAYNE STATE UNIVERSITY (US) 2001-12-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080182991-A1 N- AND O-SUBSTITUED 4-[2-(DIPHENYLMETHOXY)-ETHYL]-1-[(PHENYL)METHYL]PIPERIDINE ANALOGS AND METHODS OF TREATING CNS DISORDERS THEREWITH SLC6A3, SLC6A2, PNMT SLC6A3 1/4885SLC6A4 4/4885CXCR4 208/4885
US-20140058120-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISUBSTITUTED PYRAN DERIVATIVES TPH1, HTR4, TPH2 SLC6A3 25/4885SLC6A4 5/4885CXCR4 3288/4885
US-20030225133-A1 N-and o-substituted 4-[2-( diphenylmethoxy) -ethyl]-1- (phenyl) methyl) piperidine analogs and methods of treating cns disorders therewith SLC6A3, SLC6A2, PNMT SLC6A3 1/4885SLC6A4 4/4885CXCR4 182/4885
US-20050154021-A1 N-and O-substituted 4-[2-(diphenylmethoxy)-ethyl]-1-[(phenyl)methyl]piperidine analogs and methods of treating CNS disorders therewith SLC6A3, SLC6A2, PNMT SLC6A3 1/4885SLC6A4 4/4885CXCR4 185/4885
US-20100280091-A1 TRI-SUBSTITUTED 2-BENZHYDRYL-5-BENZYLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6-DISBUSTITUTED PYRAN DERIVATIVES TPH1, TPH2, HTR4 SLC6A3 27/4885SLC6A4 5/4885CXCR4 2875/4885
US-20070276005-A1 TRI-SUBSTITUED 2-BENZHYDRYL 5-BENZLAMINO-TETRAHYDRO-PYRAN-4-OL AND 6-BENZHYDRYL-4-BENZYLAMINO-TETRAHYDRO-PYRAN-3-OL ANALOGUES, AND NOVEL 3,6 DISUBSTITUTED PYRAN DERIVATIVES TPH1, TPH2, HTR4 SLC6A3 26/4885SLC6A4 8/4885CXCR4 3429/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.