SCHEMBL784370

SCHEMBL784370

Cc1cc(N2CCC(N(C)C(=O)c3cc4c(cc3F)[C@H](N3Cc5cccc(Cl)c5C3=O)CC4)CC2)nc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAF1 P21675 3/20 0.41
CECR2 Q9BXF3 3/20 0.41
BRD9 Q9H8M2 3/20 0.41
GHSR Q92847 11/20 0.34
POLB P06746 1/20 0.34
SPR P35270 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
AURKA O14965 1/20 0.32

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
SCHEMBL785396 0.89 TAF1 (0.39) TAF1CECR2BRD9GHSR
SCHEMBL783628 0.84 TAF1 (0.38) TAF1CECR2BRD9SPRMAPT
SCHEMBL783862 0.78 TAF1 (0.41) TAF1CECR2BRD9SPRALDH1A1
SCHEMBL784476 0.77 OPRD1 (0.37) GHSRALDH1A1
SCHEMBL784169 0.75 TAF1 (0.41) TAF1CECR2BRD9SPRALDH1A1
SCHEMBL785549 0.75 MAPT (0.41) POLBMAPT
SCHEMBL785746 0.75 MAPT (0.41) POLBMAPT
SCHEMBL785735 0.74 BDKRB1 (0.43) GHSR
SCHEMBL803567 0.74 MAPT (0.41) POLBALDH1A1MAPT
SCHEMBL784121 0.74 BDKRB1 (0.42) GHSRPOLB

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 8 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
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 TAF1 2144/4885CECR2 888/4885BRD9 243/4885

“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.