SCHEMBL785863

SCHEMBL785863

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cccc(C(F)(F)F)c1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.37
PDK2 Q15119 2/20 0.37
P2RX7 Q99572 7/20 0.36
SMO Q99835 3/20 0.36
CCR5 P51681 1/20 0.36
SLC6A9 P48067 1/20 0.36
RORC P51449 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL785180 0.91 F10 (0.38) F10PDK2CCR5
SCHEMBL785496 0.91 F10 (0.39) F10CCR5
SCHEMBL784825 0.87 RBP4 (0.37) F10PDK2SMOCCR5
SCHEMBL784218 0.87 SLC6A9 (0.40) F10PDK2P2RX7SMOSLC6A9
SCHEMBL785154 0.87 HPGD (0.44) F10PDK2CCR5
SCHEMBL785416 0.87 HPGD (0.44) F10PDK2CCR5
SCHEMBL484280 0.87 CYP3A4 (0.49) P2RX7CYP2C9CYP2C19
SCHEMBL784902 0.84 CTSS (0.41) PDK2SLC6A9
SCHEMBL784879 0.84 F10 (0.39) F10SMOCCR5
SCHEMBL784877 0.83 F10 (0.45) F10PDK2CCR5

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 F10 524/4885PDK2 2401/4885P2RX7 140/4885

“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.