SCHEMBL1505799

SCHEMBL1505799

O=C1c2ccccc2C(=O)N1OC(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
GAA P10253 2/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
TNF P01375 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CASP3 P42574 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
VDR P11473 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL12643002 0.86 ALDH1A1 (0.55) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL6477718 0.82 KMT2A (0.43) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL1520924 0.78 GAA (0.42) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL9316390 0.77 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL9559200 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL2078111 0.77 KMT2A (0.49) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL30506097 0.76 CYP3A4 (0.52) ALDH1A1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL28653694 0.76 CYP3A4 (0.52) ALDH1A1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9145763 0.76 ALDH1A1 (0.38) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL17425006 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AKDM4EMAPTHPGD

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 ALDH1A1 755/4885KMT2A 932/4885KDM4E 1618/4885
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 ALDH1A1 742/4885KMT2A 780/4885KDM4E 1253/4885
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 ALDH1A1 707/4885KMT2A 918/4885KDM4E 1331/4885
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 ALDH1A1 727/4885KMT2A 958/4885KDM4E 1382/4885

“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.