SCHEMBL784756

SCHEMBL784756

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
POLB P06746 1/20 0.37
ROCK2 O75116 2/20 0.37
CCR5 P51681 1/20 0.36
KDM4C Q9H3R0 2/20 0.35
KDM6B O15054 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
MAPK1 P28482 1/20 0.34
NPY5R Q15761 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
SCHEMBL785183 0.91 F10 (0.39) F10NPC1RAB9APOLBROCK2
SCHEMBL784391 0.89 ROCK2 (0.38) F10NPC1RAB9AROCK2CCR5
SCHEMBL784197 0.89 NPC1 (0.43) F10NPC1RAB9APOLBROCK2
SCHEMBL785450 0.88 F10 (0.39) F10NPC1RAB9AROCK2CCR5
SCHEMBL785435 0.88 F10 (0.39) F10NPC1RAB9AROCK2CCR5
SCHEMBL803651 0.88 GPR119 (0.39) F10NPC1RAB9A
SCHEMBL785915 0.88 F10 (0.39) F10NPC1RAB9AROCK2CCR5
SCHEMBL784616 0.88 ROCK2 (0.39) F10NPC1RAB9AROCK2CCR5
SCHEMBL27920482 0.87 F10 (0.40) F10NPC1RAB9AROCK2CCR5
SCHEMBL784113 0.86 BDKRB1 (0.40) F10ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN claimed
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 F10 524/4885NPC1 2033/4885RAB9A 1673/4885

“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.