SCHEMBL785636

SCHEMBL785636

CN(C(=O)c1ccc2c(c1)C(NCC(=O)C1CCCCC1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.42
POLB P06746 1/20 0.41
F10 P00742 4/20 0.39
CCR5 P51681 1/20 0.38
MCHR1 Q99705 1/20 0.38
CNR2 P34972 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ROCK2 O75116 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
DRD2 P14416 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 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
SCHEMBL785829 0.96 F10 (0.41) ACHEPOLBF10CCR5MCHR1
SCHEMBL785282 0.89 ACHE (0.41) ACHEPOLBF10CNR2NPC1
SCHEMBL784304 0.87 POLB (0.42) ACHEPOLBF10CCR5MCHR1
SCHEMBL28805786 0.85 ACHE (0.46) ACHEPOLBF10CCR5MCHR1
SCHEMBL784886 0.85 F10 (0.41) ACHEPOLBF10JAK2JAK1
SCHEMBL784410 0.85 POLB (0.41) ACHEPOLBF10CCR5MCHR1
SCHEMBL785091 0.84 ACHE (0.43) ACHEPOLBF10CCR5MCHR1
SCHEMBL785767 0.83 CTSS (0.42) POLBF10CCR5
SCHEMBL784202 0.83 TAF1 (0.41) ACHEPOLBCNR2JAK2JAK1
SCHEMBL785875 0.83 MCHR1 (0.39) POLBF10CCR5MCHR1ROCK2

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
US-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US claimed
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 ACHE 746/4885POLB 3355/4885F10 524/4885

“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.