SCHEMBL2909633

SCHEMBL2909633

c1ccc(C(c2c[nH]nc2-c2ccco2)N2CCNCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
OPRD1 P41143 13/20 0.45
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
USP2 O75604 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 2/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL2902824 0.88 MAPT (0.47) OPRD1KDM4EALDH1A1USP2NPC1
SCHEMBL2904844 0.87 OPRD1 (0.40) MEN1KMT2AOPRD1LMNAMAPT
SCHEMBL2905924 0.85 OPRD1 (0.40) MEN1KMT2AOPRD1KDM4EALDH1A1
SCHEMBL2905283 0.84 ALDH1A1 (0.52) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL2903067 0.83 OPRD1 (0.37) MEN1KMT2AOPRD1OPRM1
SCHEMBL2904802 0.82 P4HB (0.38) MEN1KMT2AOPRD1KDM4EALDH1A1
SCHEMBL2907788 0.81 LMNA (0.37) OPRD1KDM4EALDH1A1USP2NPC1
Morpholine SCHEMBL2905731 0.80 OPRD1 (0.35) OPRD1LMNAMAPTOPRM1
SCHEMBL2908049 0.79 ALDH1A1 (0.46) MEN1KMT2AKDM4EALDH1A1USP2
SCHEMBL2904810 0.78 HSP90AA1 (0.43) MEN1KMT2AKDM4EALDH1A1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP claimed
EP-1611107-B1 1,3,4-SUBSTITUTED PYRAZOLES FOR USE AS 5-HT RECEPTOR ANTAGONISTS IN THE TREATMENT OF PSYCHOSES AND NEUROLOGICAL DISORDERS MERCK PATENT GMBH (DE) 2010-08-18 EP disclosed
US-7566709-B2 1,3,4-Substituted pyrazoles as 5-HT receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2009-07-28 US disclosed
US-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders MERCK PATENT GMBH (DE) 2007-05-10 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 (1 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-20070105871-A1 1,3,4-Substituted pyrazoles as 5-ht receptor antagonists for the treatment of psychoses and neurological disorders HTR1A, HTR1D, HTR5A MEN1 1857/4885KMT2A 2510/4885OPRD1 104/4885

“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.