SCHEMBL785597

SCHEMBL785597

CCN(C(=O)c1c(F)cccc1Cl)[C@@H]1CCc2ccc(C(=O)O)cc21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.41
DRD3 P35462 1/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL785598 1.00 RORC (0.41) RORCDRD3KDM4ENPC1RAB9A
SCHEMBL803509 0.90 RORC (0.39) RORCKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL784810 0.87 RORC (0.40) RORCNPC1RAB9ASMN1; SMN2
SCHEMBL785853 0.87 RORC (0.40) RORCNPC1RAB9ASMN1; SMN2
SCHEMBL803284 0.86 SLC6A2 (0.43) DRD3
SCHEMBL785744 0.86 SLC6A2 (0.43) DRD3
SCHEMBL785978 0.84 TP53 (0.43) DRD3
SCHEMBL785167 0.84 TP53 (0.43) DRD3
SCHEMBL784506 0.81 TRPM8 (0.41) DRD3NPC1RAB9ASMN1; SMN2
SCHEMBL786012 0.81 SLC6A2 (0.43) DRD3NPC1RAB9A

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 6 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
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 RORC 4667/4885DRD3 85/4885KDM4E 2727/4885

“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.