SCHEMBL784894

SCHEMBL784894

Cc1cc(N2CCC(N(C)C(=O)c3ccc4c(c3)C(NC(=O)c3c(Cl)cccc3C(F)(F)F)CC4)CC2)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.41
WDR5 P61964 3/20 0.41
EPHX2 P34913 1/20 0.38
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 1/20 0.38
F10 P00742 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
CTSS P25774 1/20 0.35
RBP4 P02753 2/20 0.35
CNR1 P21554 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 0.91 RORC (0.42) RORCWDR5TAS1R3TAS1R1TAS1R2
SCHEMBL784666 0.90 WDR5 (0.41) WDR5EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL27902573 0.88 WDR5 (0.43) WDR5EPHX2TAS1R3TAS1R1TAS1R2
SCHEMBL784059 0.88 RORC (0.39) RORCWDR5TAS1R3TAS1R1TAS1R2
SCHEMBL785587 0.87 RORC (0.43) RORCEPHX2F10TLR9TLR8
SCHEMBL785204 0.87 TAS1R3 (0.43) WDR5TAS1R3TAS1R1TAS1R2F10
SCHEMBL785213 0.87 WDR5 (0.41) WDR5TAS1R3TAS1R1TAS1R2F10
SCHEMBL785605 0.86 ALDH1A1 (0.43) WDR5TAS1R3TAS1R1TAS1R2F10
SCHEMBL784793 0.86 TAS1R3 (0.45) RORCWDR5TAS1R3TAS1R1TAS1R2
SCHEMBL785707 0.86 F10 (0.39) RORCWDR5EPHX2F10TLR9

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 4667/4885WDR5 2611/4885EPHX2 1475/4885

“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.