SCHEMBL785829

SCHEMBL785829

CN(C(=O)c1ccc2c(c1)C(NCC(=O)C1CC1)CC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.41
MCHR1 Q99705 1/20 0.39
ACHE P22303 7/20 0.38
CCR5 P51681 1/20 0.37
POLB P06746 1/20 0.36
ROCK2 O75116 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
DRD2 P14416 1/20 0.35
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
BCHE P06276 1/20 0.35

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
SCHEMBL785636 0.96 ACHE (0.42) F10MCHR1ACHECCR5POLB
SCHEMBL784886 0.89 F10 (0.41) F10ACHEPOLBJAK2JAK1
SCHEMBL28805786 0.88 ACHE (0.46) F10MCHR1ACHECCR5POLB
SCHEMBL785875 0.87 MCHR1 (0.39) F10MCHR1CCR5POLBROCK2
SCHEMBL785091 0.86 ACHE (0.43) F10MCHR1ACHECCR5POLB
SCHEMBL785282 0.85 ACHE (0.41) F10ACHEPOLBJAK2JAK1
SCHEMBL786234 0.85 CCR5 (0.40) F10MCHR1CCR5POLBROCK2
SCHEMBL784410 0.83 POLB (0.41) F10MCHR1ACHECCR5POLB
SCHEMBL784304 0.83 POLB (0.42) F10MCHR1ACHECCR5POLB
SCHEMBL784767 0.82 MCHR1 (0.38) F10MCHR1CCR5POLBROCK2

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 F10 524/4885MCHR1 363/4885ACHE 746/4885

“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.