SCHEMBL785915

SCHEMBL785915

COCC(=O)NC1CCOc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.39
ROCK2 O75116 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CCR5 P51681 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
DRD3 P35462 2/20 0.35
P2RX7 Q99572 1/20 0.34
KDM4C Q9H3R0 2/20 0.34
KDM6B O15054 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
SCHEMBL785450 0.89 F10 (0.39) F10ROCK2NPC1RAB9ACCR5
SCHEMBL785435 0.89 F10 (0.39) F10ROCK2NPC1RAB9ACCR5
SCHEMBL784756 0.88 F10 (0.40) F10ROCK2NPC1RAB9ACCR5
SCHEMBL785183 0.87 F10 (0.39) F10ROCK2NPC1RAB9ACCR5
SCHEMBL784381 0.87 NPC1 (0.38) F10ROCK2NPC1RAB9ACCR5
SCHEMBL785608 0.86 MCHR1 (0.39) F10ROCK2CCR5CYP3A4CYP2D6
SCHEMBL803651 0.85 GPR119 (0.39) F10NPC1RAB9A
SCHEMBL785080 0.85 TAOK3 (0.41) F10DRD2
SCHEMBL784197 0.85 NPC1 (0.43) F10ROCK2NPC1RAB9ACCR5
SCHEMBL784391 0.85 ROCK2 (0.38) F10ROCK2NPC1RAB9ACCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 524/4885ROCK2 3995/4885NPC1 2033/4885

“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.