SCHEMBL1505918

SCHEMBL1505918

c1ccc(CCCN2CCC(CCOC(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.85
SLC6A3 Q01959 2/20 0.85
SIGMAR1 Q99720 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
CYP2D6 P10635 2/20 0.74
TP53 P04637 1/20 0.74
CYP1A2 P05177 1/20 0.74
MAPT P10636 1/20 0.74
CYP2C9 P11712 1/20 0.74
ALOX15 P16050 1/20 0.74
TSHR P16473 1/20 0.74
NFKB1 P19838 1/20 0.74
SLC6A2 P23975 1/20 0.74
MAPK1 P28482 1/20 0.74
CYP2C19 P33261 1/20 0.74
THPO P40225 1/20 0.74
MTOR P42345 1/20 0.74
RAB9A P51151 1/20 0.74
HIF1A Q16665 1/20 0.74
HSD17B10 Q99714 1/20 0.74

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
SCHEMBL1505912 0.92 SLC6A3 (1.00) SLC6A4SLC6A3SIGMAR1SMN1; SMN2CYP2D6
SCHEMBL726349 0.85 SLC6A2 (1.00) SLC6A4SLC6A3SIGMAR1SMN1; SMN2CYP2D6
SCHEMBL1239701 0.84 SLC6A3 (0.83) SLC6A3
Hydrochloric Acid SCHEMBL339982 0.84 SMN1; SMN2 (1.00) SLC6A4SLC6A3SIGMAR1SMN1; SMN2CYP2D6
SCHEMBL4199225 0.82 SIGMAR1 (1.00) SLC6A4SLC6A3SIGMAR1SMN1; SMN2CYP2D6
SCHEMBL83059 0.81 SIGMAR1 (0.69) SIGMAR1CYP2D6TP53CYP1A2TSHR
SCHEMBL10259855 0.80 SLC6A3 (0.65) SLC6A3
SCHEMBL10000765 0.79 SLC6A4 (0.97) SLC6A4SLC6A3SIGMAR1SMN1; SMN2CYP2D6
SCHEMBL7449796 0.78 SIGMAR1 (0.74) SIGMAR1CYP2D6TP53CYP1A2TSHR
SCHEMBL29386967 0.78 KCNA3 (1.00) SLC6A4SLC6A3SIGMAR1SMN1; SMN2CYP2D6

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211916-B2 Central nervous system disorders; drug abuse; Parkinson's disease; antidepressants WAYNE STATE UNIVERSITY (US) 2012-07-03 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
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-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-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 (2 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 SLC6A4 4/4885SLC6A3 1/4885SIGMAR1 86/4885
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 SLC6A4 4/4885SLC6A3 1/4885SIGMAR1 94/4885

“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.