SCHEMBL784966

SCHEMBL784966

CC(C)CN(C(=O)c1ccccc1Cl)[C@@H]1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.38
F10 P00742 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
BDKRB1 P46663 5/20 0.36
SLC6A2 P23975 5/20 0.36
SLC6A4 P31645 5/20 0.36
SLC6A3 Q01959 5/20 0.36
KCNH2 Q12809 2/20 0.35
OPRK1 P41145 1/20 0.35
MCHR1 Q99705 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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 0.89 HPGD (0.44) CCR5F10HPGDTSHRBDKRB1
SCHEMBL785154 0.89 HPGD (0.44) CCR5F10HPGDTSHRBDKRB1
SCHEMBL785537 0.89 F10 (0.39) CCR5F10HPGDTSHRBDKRB1
SCHEMBL785564 0.85 HPGD (0.41) CCR5F10HPGDTSHRBDKRB1
SCHEMBL785496 0.83 F10 (0.39) CCR5F10HPGDTSHRBDKRB1
SCHEMBL784988 0.83 F10 (0.38) CCR5F10BDKRB1KCNH2MCHR1
SCHEMBL784348 0.82 F10 (0.39) CCR5F10MCHR1
SCHEMBL783634 0.81 F10 (0.38) CCR5F10BDKRB1SLC6A2SLC6A4
SCHEMBL785580 0.81 F10 (0.41) CCR5F10MCHR1HRH3
SCHEMBL784261 0.81 ALDH1A1 (0.43) F10HPGDTSHRBDKRB1

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 8 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 CCR5 460/4885F10 524/4885HPGD 1082/4885

“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.