SCHEMBL1505948

SCHEMBL1505948

N#CC(c1ccccc1)(c1ccccc1)c1ccc([N+](=O)[O-])cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.49
KMT2A Q03164 6/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 3/20 0.47
CYP2C19 P33261 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
CYP19A1 P11511 1/20 0.43
HSP90AA1 P07900 2/20 0.43
CXCR5 P32302 2/20 0.43
APLNR P35414 2/20 0.43
CCR6 P51684 2/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL11141195 0.84 MAPT (0.45) AGTR1KMT2AMAPTMEN1LMNA
SCHEMBL13865451 0.80 ALDH1A1 (0.54) KMT2AMAPTMEN1LMNACYP2C19
SCHEMBL357918 0.76 CYP2C19 (0.55) AGTR1KMT2AMAPTMEN1LMNA
SCHEMBL1505852 0.74 CYP2C19 (0.49) AGTR1KMT2AMAPTMEN1LMNA
SCHEMBL9242359 0.72 ALDH1A1 (0.52) KMT2AMAPTMEN1LMNACYP2C19
SCHEMBL28973291 0.71 CYP2C19 (0.56) AGTR1KMT2AMAPTMEN1LMNA
SCHEMBL11807485 0.71 CYP2C19 (0.56) AGTR1KMT2AMAPTMEN1LMNA
SCHEMBL13865449 0.71 VCAM1 (0.48) KMT2AMAPTMEN1LMNACYP2C19
SCHEMBL1505928 0.71 CYP2C19 (0.52) AGTR1KMT2AMAPTMEN1LMNA
SCHEMBL2815328 0.70 ALDH1A1 (0.48) KMT2AMAPTMEN1LMNACYP2C19

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 10 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
US-20100016600-A1 N- and O-Substituted 4-[2-(Diphenylmethoxy)-Ethyl]-1-[(Phenyl)Methyl]Piperdine Analogs and Methods of Treating CNS Disorders Therewith WAYNE STATE UNIVERSITY (US) 2010-01-21 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-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 (4 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-20100016600-A1 N- and O-Substituted 4-[2-(Diphenylmethoxy)-Ethyl]-1-[(Phenyl)Methyl]Piperdine Analogs and Methods of Treating CNS Disorders Therewith SLC6A3, SLC6A2, PNMT AGTR1 1814/4885KMT2A 932/4885MAPT 285/4885
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 AGTR1 1908/4885KMT2A 780/4885MAPT 283/4885
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 AGTR1 1376/4885KMT2A 918/4885MAPT 278/4885
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 AGTR1 2044/4885KMT2A 958/4885MAPT 247/4885

“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.