SCHEMBL784693

SCHEMBL784693

CN(C(=O)NC1CCOc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21)c1ccccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.38
PIK3CA P42336 6/20 0.37
CCR5 P51681 1/20 0.35
PIK3CB P42338 4/20 0.35
ROCK2 O75116 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
BDKRB1 P46663 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
NPY5R Q15761 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
SCHEMBL784113 0.88 BDKRB1 (0.40) F10ROCK2BDKRB1
SCHEMBL784150 0.88 BDKRB1 (0.40) F10ROCK2BDKRB1
SCHEMBL785136 0.87 F10 (0.38) F10CCR5JAK2JAK1NPY5R
SCHEMBL785887 0.87 TRPV1 (0.42) F10JAK2JAK1
SCHEMBL785798 0.86 F10 (0.38) F10ROCK2BDKRB1NPC1RAB9A
SCHEMBL785879 0.86 CTSS (0.42) F10CCR5JAK2JAK1
SCHEMBL785594 0.85 F10 (0.38) F10CCR5ROCK2JAK2JAK1
SCHEMBL784948 0.85 F10 (0.37) F10CCR5ROCK2JAK2JAK1
SCHEMBL785183 0.85 F10 (0.39) F10CCR5ROCK2NPC1RAB9A
SCHEMBL784756 0.85 F10 (0.40) F10CCR5ROCK2JAK2JAK1

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 F10 524/4885PIK3CA 3636/4885CCR5 460/4885

“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.