SCHEMBL785154

SCHEMBL785154

CN(C(=O)c1ccc2c(c1)C(N(C)C(=O)c1ccccc1Cl)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CCR5 P51681 1/20 0.41
F10 P00742 3/20 0.40
BDKRB1 P46663 6/20 0.38
MCHR1 Q99705 1/20 0.37
PDK2 Q15119 1/20 0.36
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL785416 1.00 HPGD (0.44) HPGDTSHRCCR5F10BDKRB1
SCHEMBL785496 0.93 F10 (0.39) HPGDTSHRCCR5F10BDKRB1
SCHEMBL785537 0.91 F10 (0.39) HPGDTSHRCCR5F10BDKRB1
SCHEMBL785564 0.91 HPGD (0.41) HPGDTSHRCCR5F10BDKRB1
SCHEMBL784877 0.91 F10 (0.45) CCR5F10MCHR1PDK2USP30
SCHEMBL784879 0.90 F10 (0.39) CCR5F10MCHR1USP30
SCHEMBL785542 0.89 HPGD (0.44) HPGDTSHRF10
SCHEMBL784966 0.89 CCR5 (0.38) HPGDTSHRCCR5F10BDKRB1
SCHEMBL785180 0.89 F10 (0.38) CCR5F10MCHR1PDK2
SCHEMBL784399 0.89 HPGD (0.42) HPGDTSHRCCR5USP30

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 HPGD 1082/4885TSHR 586/4885CCR5 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.