SCHEMBL784587

SCHEMBL784587

CNc1nccc(N2CCC(N(C)C(=O)c3ccc4c(c3)[C@H](NC(=O)c3ccccc3Cl)CC4)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.41
CDK8 P49336 6/20 0.41
ALDH1A1 P00352 1/20 0.40
TAS1R3 Q7RTX0 3/20 0.39
TAS1R1 Q7RTX1 3/20 0.39
TAS1R2 Q8TE23 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
WDR5 P61964 4/20 0.37
SPTLC2 O15270 1/20 0.35
PDE2A O00408 1/20 0.35

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
SCHEMBL785880 0.91 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL784165 0.91 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL784086 0.91 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785562 0.91 ALDH1A1 (0.40) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785235 0.91 ALDH1A1 (0.40) CCNCCDK8ALDH1A1TAS1R3TAS1R1
SCHEMBL803747 0.89 ALDH1A1 (0.41) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL784608 0.89 MEN1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785893 0.89 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL784313 0.89 MEN1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL785737 0.89 MEN1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2MEN1

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
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
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

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 CCNC 899/4885CDK8 1688/4885ALDH1A1 1267/4885

“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.