SCHEMBL785359

SCHEMBL785359

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
MCHR1 Q99705 1/20 0.40
IMPDH2 P12268 1/20 0.39
POLB P06746 1/20 0.39
CCR5 P51681 1/20 0.38
TMEM97 Q5BJF2 3/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 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
SCHEMBL785232 0.89 F10 (0.41) F10MCHR1IMPDH2POLBTMEM97
SCHEMBL785891 0.88 F10 (0.41) F10MCHR1POLBCCR5TMEM97
SCHEMBL785580 0.88 F10 (0.41) F10MCHR1POLBCCR5TMEM97
SCHEMBL785627 0.87 MCHR1 (0.41) F10MCHR1POLBCCR5DRD2
SCHEMBL785828 0.85 MCHR1 (0.40) F10MCHR1POLBCCR5DRD2
SCHEMBL783986 0.85 F10 (0.42) F10MCHR1POLBCCR5TMEM97
SCHEMBL785592 0.85 CCR5 (0.39) F10MCHR1POLBCCR5TMEM97
SCHEMBL785608 0.84 MCHR1 (0.39) F10CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL803436 0.84 GPR119 (0.40) F10MCHR1POLBCCR5TMEM97
SCHEMBL785635 0.83 POLB (0.44) F10TSHRMCHR1POLBCCR5

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 524/4885CYP3A4 2055/4885CYP2D6 900/4885

“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.