SCHEMBL785183

SCHEMBL785183

CN(C(=O)c1ccc2c(c1)C(NC(=O)C1CC1)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 7/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ROCK2 O75116 2/20 0.36
CCR5 P51681 1/20 0.35
KDM4A O75164 1/20 0.35
ABL1 P00519 1/20 0.35
RIN1 Q13671 1/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4D Q6B0I6 2/20 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
SCHEMBL784197 0.96 NPC1 (0.43) F10NPC1RAB9AROCK2CCR5
SCHEMBL784756 0.91 F10 (0.40) F10NPC1RAB9AROCK2CCR5
SCHEMBL784391 0.87 ROCK2 (0.38) F10NPC1RAB9AROCK2CCR5
SCHEMBL785915 0.87 F10 (0.39) F10NPC1RAB9AROCK2CCR5
SCHEMBL785435 0.87 F10 (0.39) F10NPC1RAB9AKDM4EROCK2
SCHEMBL785450 0.87 F10 (0.39) F10NPC1RAB9AROCK2CCR5
SCHEMBL803651 0.87 GPR119 (0.39) F10NPC1RAB9AKDM4D
SCHEMBL784150 0.86 BDKRB1 (0.40) F10ROCK2KDM4D
SCHEMBL784113 0.86 BDKRB1 (0.40) F10ROCK2KDM4D
SCHEMBL784616 0.86 ROCK2 (0.39) F10NPC1RAB9AROCK2CCR5

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.