SCHEMBL785580

SCHEMBL785580

CC(C)CC(=O)N(C)C1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
CCR5 P51681 2/20 0.40
MCHR1 Q99705 1/20 0.40
POLB P06746 1/20 0.39
HRH3 Q9Y5N1 2/20 0.37
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
ROCK2 O75116 1/20 0.36
DRD2 P14416 1/20 0.36
PDK2 Q15119 2/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 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
SCHEMBL785283 0.89 TLR9 (0.43) F10CCR5POLBHRH3TMEM97
SCHEMBL785359 0.88 F10 (0.41) F10CCR5MCHR1POLBTMEM97
SCHEMBL785891 0.88 F10 (0.41) F10CCR5MCHR1POLBTMEM97
SCHEMBL785627 0.87 MCHR1 (0.41) F10CCR5MCHR1POLBHRH3
SCHEMBL785828 0.85 MCHR1 (0.40) F10CCR5MCHR1POLBHRH3
SCHEMBL783986 0.85 F10 (0.42) F10CCR5MCHR1POLBTMEM97
SCHEMBL785592 0.85 CCR5 (0.39) F10CCR5MCHR1POLBHRH3
SCHEMBL784956 0.84 CCR5 (0.39) F10CCR5MCHR1POLBHRH3
SCHEMBL785736 0.84 CCR5 (0.39) F10CCR5MCHR1POLBHRH3
SCHEMBL785635 0.83 POLB (0.44) F10CCR5MCHR1POLBHRH3

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 524/4885CCR5 460/4885MCHR1 363/4885

“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.