SCHEMBL785608

SCHEMBL785608

COCC(=O)NC1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
F10 P00742 4/20 0.38
HCRTR1 O43613 7/20 0.37
HCRTR2 O43614 7/20 0.37
CCR5 P51681 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.35
AURKA O14965 1/20 0.35
DRD2 P14416 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 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
SCHEMBL785080 0.95 TAOK3 (0.41) F10POLBDRD2TAOK1TAOK3
SCHEMBL785229 0.90 HCRTR1 (0.36) MCHR1F10HCRTR1HCRTR2POLB
SCHEMBL784170 0.89 HCRTR1 (0.40) F10HCRTR1HCRTR2
SCHEMBL785736 0.88 CCR5 (0.39) MCHR1F10CCR5POLBROCK2
SCHEMBL784956 0.88 CCR5 (0.39) MCHR1F10CCR5POLBROCK2
SCHEMBL785458 0.88 MCHR1 (0.39) MCHR1F10CCR5POLBROCK2
SCHEMBL786234 0.88 CCR5 (0.40) MCHR1F10CCR5POLBROCK2
SCHEMBL784554 0.87 HTR1A (0.43) MCHR1F10CCR5DRD2TAOK1
SCHEMBL785328 0.87 MCHR1 (0.38) MCHR1F10HCRTR1HCRTR2CCR5
SCHEMBL27902562 0.87 CA12 (0.40) MCHR1F10CCR5POLBROCK2

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 MCHR1 363/4885F10 524/4885HCRTR1 214/4885

“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.