SCHEMBL784056

SCHEMBL784056

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1sccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.40
MCHR1 Q99705 1/20 0.38
CCR5 P51681 1/20 0.36
USP30 Q70CQ3 1/20 0.35
POLB P06746 1/20 0.35
OPRM1 P35372 4/20 0.34
PRKDC P78527 1/20 0.34
OPRD1 P41143 2/20 0.33
OPRK1 P41145 2/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL784425 0.89 F10 (0.40) F10POLBOPRM1PRKDCDRD2
SCHEMBL785753 0.86 F10 (0.38) F10MCHR1USP30POLBDRD2
SCHEMBL785416 0.86 HPGD (0.44) F10MCHR1CCR5USP30
SCHEMBL785154 0.86 HPGD (0.44) F10MCHR1CCR5USP30
SCHEMBL784877 0.85 F10 (0.45) F10MCHR1CCR5USP30POLB
SCHEMBL785627 0.85 MCHR1 (0.41) F10MCHR1CCR5POLBDRD2
SCHEMBL2818015 0.85 CYP3A4 (0.47)
SCHEMBL785592 0.84 CCR5 (0.39) F10MCHR1CCR5USP30POLB
SCHEMBL785496 0.84 F10 (0.39) F10MCHR1CCR5USP30POLB
SCHEMBL784879 0.84 F10 (0.39) F10MCHR1CCR5USP30POLB

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 3 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-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 524/4885MCHR1 363/4885CCR5 460/4885

“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.