SCHEMBL785659

SCHEMBL785659

COc1ccc(Cl)cc1NC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccc5cnccc5c4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.38
F10 P00742 3/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
RBP4 P02753 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL785321 0.92 F10 (0.39) F10TRPV1
SCHEMBL784689 0.91 F10 (0.39) F10TRPV1
SCHEMBL785521 0.88 FPR2 (0.38) F10TRPV1
SCHEMBL785862 0.88 ALDH1A1 (0.42) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL784649 0.87 TAS1R3 (0.41) TRPV1
SCHEMBL784875 0.87 KMT2A (0.46) ALDH1A1GAAKMT2AMEN1POLB
SCHEMBL784714 0.86 TRPV1 (0.42) TRPV1
SCHEMBL785714 0.85 TRPV1 (0.38) F10TRPV1
SCHEMBL785937 0.84 TRPV1 (0.40) GAAKMT2AF10TRPV1
SCHEMBL784019 0.84 TRPV1 (0.40) ALDH1A1KMT2AMEN1POLBMAPT

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
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-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 ALDH1A1 1267/4885GAA 3227/4885KMT2A 2222/4885

“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.