SCHEMBL784482

SCHEMBL784482

Cc1cccc(C)c1C(=O)NC1CCc2cc(C(=O)N(C)C3CCN(c4ccncc4)CC3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ROCK2 O75116 1/20 0.39
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
CCR5 P51681 1/20 0.37
AURKA O14965 1/20 0.37
F10 P00742 3/20 0.37
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
MCHR1 Q99705 1/20 0.35
NPY5R Q15761 1/20 0.35
CHRM4 P08173 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 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
SCHEMBL785219 0.94 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2ROCK2JAK2
SCHEMBL785228 0.89 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2AURKA
SCHEMBL784149 0.87 ROCK2 (0.38) TAS1R3TAS1R1TAS1R2ROCK2CCR5
SCHEMBL785698 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2F10
SCHEMBL785404 0.86 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2F10
SCHEMBL784680 0.86 RORC (0.42) TAS1R3TAS1R1TAS1R2ROCK2F10
SCHEMBL784616 0.85 ROCK2 (0.39) TAS1R3TAS1R1TAS1R2ROCK2JAK2
SCHEMBL785681 0.85 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2ROCK2JAK2
SCHEMBL27920485 0.85 SMO (0.39) TAS1R3TAS1R1TAS1R2ROCK2JAK2
SCHEMBL784827 0.84 ROCK2 (0.37) TAS1R3TAS1R1TAS1R2ROCK2JAK2

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 5 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
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 TAS1R3 202/4885TAS1R1 75/4885TAS1R2 163/4885

“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.