SCHEMBL785729

SCHEMBL785729

CC(C)(C)N(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
ABCB1 P08183 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 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
SCHEMBL803540 0.89 WDR5 (0.41) HPGDTSHRABCB1POLB
SCHEMBL803219 0.89 WDR5 (0.41) HPGDTSHRABCB1POLB
SCHEMBL484622 0.86 HPGD (0.49) HPGDTSHRTRPM8HTTPOLB
SCHEMBL785069 0.86 HPGD (0.49) HPGDTSHRTRPM8HTTPOLB
SCHEMBL785978 0.83 TP53 (0.43) HPGDTSHRTRPM8POLB
SCHEMBL785968 0.83 TRPM8 (0.47) HPGDTSHRTRPM8HTTPOLB
SCHEMBL785167 0.83 TP53 (0.43) HPGDTSHRTRPM8POLB
SCHEMBL785967 0.83 TRPM8 (0.47) HPGDTSHRTRPM8HTTPOLB
SCHEMBL2818796 0.83 TRPM8 (0.41) HPGDTSHRTRPM8HTTPOLB
SCHEMBL484953 0.81 SLC6A2 (0.42) HPGDTSHRTRPM8

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 7 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
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 HPGD 1082/4885TSHR 586/4885TRPM8 180/4885

“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.