SCHEMBL785091

SCHEMBL785091

CNC1CCc2ccc(C(=O)N(C)C3CCN(c4ccncc4)CC3)cc21

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.43
MCHR1 Q99705 1/20 0.41
F10 P00742 3/20 0.41
POLB P06746 1/20 0.40
CCR5 P51681 1/20 0.39
JAK2 O60674 6/20 0.39
JAK1 P23458 6/20 0.39
ROCK2 O75116 1/20 0.37
DRD2 P14416 1/20 0.37
ALDH1A1 P00352 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL786234 0.90 CCR5 (0.40) MCHR1F10POLBCCR5JAK2
SCHEMBL785875 0.89 MCHR1 (0.39) MCHR1F10POLBCCR5JAK2
SCHEMBL784767 0.88 MCHR1 (0.38) MCHR1F10POLBCCR5JAK2
SCHEMBL28805786 0.88 ACHE (0.46) ACHEMCHR1F10POLBCCR5
SCHEMBL784928 0.87 TLR9 (0.43) ACHEF10POLBJAK2JAK1
SCHEMBL785446 0.87 CTSS (0.52) MCHR1POLBCCR5JAK2JAK1
SCHEMBL784410 0.87 POLB (0.41) ACHEMCHR1F10POLBCCR5
SCHEMBL785829 0.86 F10 (0.41) ACHEMCHR1F10POLBCCR5
SCHEMBL784472 0.86 CTSS (0.41) MCHR1F10POLBROCK2DRD2
SCHEMBL785100 0.86 KCNH2 (0.42) MCHR1F10CCR5ROCK2DRD2

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-8680159-B2 Bradykinin 1 receptor modulating compounds GRUENENTHAL GMBH (DE) 2014-03-25 US disclosed
CN-103097354-A Substituted benzamide compounds GRUENENTHAL CHEMIE 2013-05-08 CN 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 746/4885MCHR1 363/4885F10 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.