SCHEMBL1505928

SCHEMBL1505928

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
LMNA P02545 2/20 0.45
AGTR1 P30556 1/20 0.44
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
CYP19A1 P11511 2/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.39
CXCR5 P32302 1/20 0.39
APLNR P35414 1/20 0.39
CCR6 P51684 1/20 0.39
PKM P14618 2/20 0.39
ATM Q13315 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
SCHEMBL17435097 0.80 CYP2C19 (0.56) CYP2C19CYP1A2GAAMAPTMEN1
SCHEMBL1505852 0.74 CYP2C19 (0.49) CYP2C19CYP1A2GAAMAPTMEN1
SCHEMBL8226385 0.73 KCNN4 (0.50) CYP2C19CYP1A2MAPTKMT2ANPC1
SCHEMBL6749450 0.71 CYP2C19 (0.52) CYP2C19CYP1A2GAAMAPTMEN1
SCHEMBL7912169 0.71 CYP2C19 (0.55) CYP2C19CYP1A2GAAMAPTKMT2A
SCHEMBL1505948 0.71 AGTR1 (0.49) CYP2C19GAAMAPTMEN1KMT2A
SCHEMBL27763440 0.69 CYP2C19 (0.86) CYP2C19CYP1A2GAAMAPTMEN1
SCHEMBL12213081 0.68 CYP2C19 (0.63) CYP2C19CYP1A2GAAMAPTMEN1
SCHEMBL474857 0.68 CYP1A2 (1.00) CYP2C19CYP1A2GAAMAPTMEN1
SCHEMBL6465771 0.68 MAPT (0.37) CYP1A2MAPTMEN1KMT2ANPC1

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 9 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

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 CYP2C19 360/4885CYP1A2 632/4885GAA 1055/4885
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 CYP2C19 586/4885CYP1A2 683/4885GAA 952/4885
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 CYP2C19 699/4885CYP1A2 615/4885GAA 1009/4885
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 CYP2C19 542/4885CYP1A2 638/4885GAA 1032/4885

“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.