SCHEMBL784983

SCHEMBL784983

c1ccc(CN(CCC2CCNCC2)Cc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.56
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 3/20 0.47
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HRH1 P35367 1/20 0.40
SLC6A3 Q01959 2/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
SLC18A3 Q16572 1/20 0.39
SIGMAR1 Q99720 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
Trifluoroacetic Acid SCHEMBL785809 0.89 SLC6A2 (0.46) GBA1SLC6A4SLC6A2SLC6A3
SCHEMBL22482261 0.88 KDM4E (0.46) KDM4EHSD17B10OPRM1OPRD1OPRK1
SCHEMBL784929 0.84 GBA1 (0.53) GBA1SLC6A4SLC6A2KDM1AMAOA
SCHEMBL5119405 0.83 GBA1 (0.59) GBA1SLC6A4SLC6A2KDM1AMAOA
Hydrochloric Acid SCHEMBL22407358 0.80 MEN1 (0.50) GBA1SLC6A4SLC6A2OPRM1
SCHEMBL5650005 0.78 GBA1 (0.53) GBA1SLC6A4SLC6A2KDM4EHSD17B10
SCHEMBL7957515 0.77 SIGMAR1 (0.53) GBA1SLC6A4SLC6A2MAOAMAOB
SCHEMBL2241250 0.77 GBA1 (0.66) GBA1SLC6A4KDM1AMAOAMAOB
SCHEMBL5166106 0.76 MEN1 (0.53) KDM4EHSD17B10
Hydrochloric Acid SCHEMBL1532936 0.75 GBA1 (0.63) GBA1SLC6A4MAOAMAOB

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
EP-2619178-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2013-07-31 EP disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
WO-2012038081-A1 SUBSTITUTED BENZAMIDE COMPOUNDS Grünenthal GmbH (DE) 2012-03-29 WO disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US disclosed
EP-0987264-A1 4,4-DIFLUORO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPINE DERIVATIVES AND DRUG COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 2000-03-22 EP 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-20120071461-A1 Substituted Benzamide Compounds BDKRB1, BDKRB2, HRH2 GBA1 849/4885SLC6A4 1682/4885SLC6A2 1966/4885

“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.