SCHEMBL784680

SCHEMBL784680

CN(C(=O)c1ccc2c(c1)CCC2NC(=O)c1c(Cl)cccc1C(F)(F)F)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.42
TYK2 P29597 1/20 0.41
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
TAS1R2 Q8TE23 1/20 0.39
F10 P00742 3/20 0.37
RIPK1 Q13546 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
ROCK2 O75116 1/20 0.35

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
SCHEMBL783708 0.95 RORC (0.42) RORCTYK2TAS1R3TAS1R1TAS1R2
SCHEMBL784793 0.91 TAS1R3 (0.45) RORCTYK2TAS1R3TAS1R1TAS1R2
SCHEMBL27920485 0.89 SMO (0.39) TAS1R3TAS1R1TAS1R2IRAK4ROCK2
SCHEMBL784009 0.87 RORC (0.40) RORCTYK2F10RIPK1ROCK2
SCHEMBL785698 0.87 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2F10
SCHEMBL785404 0.87 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2F10
SCHEMBL785681 0.86 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2F10RIPK1
SCHEMBL784148 0.86 RORC (0.41) RORCTYK2F10IRAK4ROCK2
SCHEMBL784059 0.86 RORC (0.39) RORCTYK2TAS1R3TAS1R1TAS1R2
SCHEMBL784482 0.86 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2F10ROCK2

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 RORC 4667/4885TYK2 3974/4885TAS1R3 202/4885

“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.