SCHEMBL784812

SCHEMBL784812

CN(C(=O)c1ccc2c(c1)CC[C@H]2N1Cc2cccc(Cl)c2C1=O)C1CCN(Cc2ccncc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.47
IKZF1 Q13422 1/20 0.41
IKZF2 Q9UKS7 1/20 0.41
PARP2 Q9UGN5 5/20 0.39
CCR5 P51681 1/20 0.39
CCR3 P51677 1/20 0.38
MCHR1 Q99705 1/20 0.37

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
SCHEMBL784213 0.93 OPRM1 (0.42) PARP1IKZF1IKZF2CCR5
SCHEMBL784220 0.90 PARP1 (0.38) PARP1PARP2CCR3MCHR1
SCHEMBL785735 0.89 BDKRB1 (0.43) PARP1CCR5
SCHEMBL784476 0.84 OPRD1 (0.37)
SCHEMBL784121 0.84 BDKRB1 (0.42) PARP1CCR5MCHR1
SCHEMBL785310 0.78 MAPT (0.36) PARP1PARP2
SCHEMBL785103 0.78 BDKRB1 (0.41) PARP1CCR5
SCHEMBL785396 0.76 TAF1 (0.39)
SCHEMBL803394 0.75 OPRD1 (0.39) PARP1
SCHEMBL785795 0.75 CRBN (0.42) PARP1PARP2

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 PARP1 1532/4885IKZF1 4655/4885IKZF2 4819/4885

“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.