SCHEMBL784878

SCHEMBL784878

CN(C(=O)c1ccc2c(c1)C(N)CCC2)C1CCN(c2ccncc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.43
POLB P06746 1/20 0.43
F10 P00742 4/20 0.42
CCR5 P51681 1/20 0.41
MCHR1 Q99705 1/20 0.41
CYP11B2 P19099 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL785118 0.94 MCHR1 (0.44) ACHEPOLBF10CCR5MCHR1
SCHEMBL785119 0.94 MCHR1 (0.44) ACHEPOLBF10CCR5MCHR1
SCHEMBL786045 0.86 CCR5 (0.42) ACHEPOLBF10CCR5MCHR1
SCHEMBL785734 0.85 CTSS (0.44) POLBF10CCR5MCHR1CYP11B2
SCHEMBL784957 0.83 CTSS (0.43) POLBF10ALDH1A1
SCHEMBL786192 0.82 ALDH1A1 (0.46) POLBF10CCR5MCHR1ALDH1A1
SCHEMBL785627 0.82 MCHR1 (0.41) POLBF10CCR5MCHR1ALDH1A1
SCHEMBL785091 0.82 ACHE (0.43) ACHEPOLBF10CCR5MCHR1
SCHEMBL785767 0.82 CTSS (0.42) POLBF10CCR5ALDH1A1
SCHEMBL784978 0.82 ACHE (0.41) ACHEPOLBF10CCR5MCHR1

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 2 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 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.