SCHEMBL785103

SCHEMBL785103

CN(C(=O)c1ccc2c(c1)OCC[C@H]2N1Cc2cccc(Cl)c2C1=O)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.41
F10 P00742 6/20 0.38
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ROCK2 O75116 2/20 0.33
PARP1 P09874 1/20 0.33
CCR5 P51681 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
USP30 Q70CQ3 1/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL785735 0.88 BDKRB1 (0.43) BDKRB1F10PARP1CCR5ADORA2A
SCHEMBL784121 0.87 BDKRB1 (0.42) BDKRB1F10ROCK2PARP1CCR5
SCHEMBL785419 0.87 BDKRB1 (0.39) BDKRB1F10RAB9APARP1CCR5
SCHEMBL784719 0.78 FABP4 (0.40) PARP1
SCHEMBL785431 0.78 FABP4 (0.40) PARP1
SCHEMBL784812 0.78 PARP1 (0.47) PARP1CCR5
SCHEMBL785047 0.77 BDKRB1 (0.41) BDKRB1F10ROCK2
SCHEMBL784476 0.77 OPRD1 (0.37) ADORA2AADORA1
SCHEMBL785374 0.77 MAPT (0.38) ROCK2
SCHEMBL785375 0.77 MAPT (0.38) ROCK2

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 7 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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
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
US-20120071461-A1 Substituted Benzamide Compounds GRUENENTHAL GMBH (DE) 2012-03-22 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 BDKRB1 1/4885F10 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.