SCHEMBL784391

SCHEMBL784391

CN(C(=O)c1ccc2c(c1)C(NC(=O)c1cncnc1)CCO2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.38
F10 P00742 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4C Q9H3R0 2/20 0.34
KDM6B O15054 1/20 0.34
CCR5 P51681 1/20 0.34
FASN P49327 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPY5R Q15761 1/20 0.34
CHRNA7 P36544 1/20 0.33
BDKRB1 P46663 1/20 0.33

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
SCHEMBL784756 0.89 F10 (0.40) ROCK2F10NPC1RAB9AKDM4C
SCHEMBL785183 0.87 F10 (0.39) ROCK2F10NPC1RAB9ACCR5
SCHEMBL784616 0.87 ROCK2 (0.39) ROCK2F10NPC1RAB9ACCR5
SCHEMBL785539 0.86 ROCK2 (0.37) ROCK2F10NPC1RAB9AKDM4C
SCHEMBL784113 0.86 BDKRB1 (0.40) ROCK2F10BDKRB1
SCHEMBL784150 0.86 BDKRB1 (0.40) ROCK2F10BDKRB1
SCHEMBL784342 0.86 CTSS (0.41) ROCK2F10
SCHEMBL784472 0.86 CTSS (0.41) ROCK2F10
SCHEMBL784197 0.85 NPC1 (0.43) ROCK2F10NPC1RAB9AKDM4C
SCHEMBL785798 0.85 F10 (0.38) ROCK2F10NPC1RAB9ABDKRB1

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-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 US claimed
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US 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 ROCK2 3995/4885F10 524/4885NPC1 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.