SCHEMBL784877

SCHEMBL784877

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1cc(Cl)ccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.45
USP30 Q70CQ3 1/20 0.37
CCR5 P51681 1/20 0.36
MCHR1 Q99705 1/20 0.36
PDK2 Q15119 1/20 0.35
F2 P00734 1/20 0.35
PLAT P00750 1/20 0.35
KLKB1 P03952 1/20 0.35
POLB P06746 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
SCHEMBL784879 0.93 F10 (0.39) F10USP30CCR5MCHR1POLB
SCHEMBL785154 0.91 HPGD (0.44) F10USP30CCR5MCHR1PDK2
SCHEMBL785416 0.91 HPGD (0.44) F10USP30CCR5MCHR1PDK2
SCHEMBL784593 0.89 F10 (0.45) F10PDK2F2PLATKLKB1
SCHEMBL785496 0.88 F10 (0.39) F10USP30CCR5MCHR1POLB
SCHEMBL785223 0.87 F10 (0.43) F10USP30
SCHEMBL784449 0.86 F10 (0.43) F10
SCHEMBL784056 0.85 F10 (0.40) F10USP30CCR5MCHR1POLB
SCHEMBL785627 0.85 MCHR1 (0.41) F10CCR5MCHR1POLB
SCHEMBL484217 0.85 CYP3A4 (0.47) F10

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 524/4885USP30 4164/4885CCR5 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.