SCHEMBL9913433

SCHEMBL9913433

Cn1ncc2cc(C(C)(C)C(C)(C)CN)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
CTNNB1 P35222 1/20 0.39
TCF7 P36402 1/20 0.39
CDC7 O00311 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.39
SRC P12931 2/20 0.38
AR P10275 2/20 0.37
MPO P05164 1/20 0.37
NR3C1 P04150 1/20 0.36
PDE1C Q14123 1/20 0.36
USP7 Q93009 1/20 0.36
MAOB P27338 3/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
APP P05067 1/20 0.34
CYP11B1 P15538 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
SCHEMBL16300041 0.80 NR3C1 (0.49) NR3C1CYP11B1CYP11B2
SCHEMBL2627065 0.79 TRPA1 (0.47) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL3590691 0.78 NR3C1 (0.66) NR3C1
SCHEMBL21191656 0.77 TRPA1 (0.43) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL12140411 0.76 CYP11B2 (0.50) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL9913431 0.72 PDE1C (0.46) TRPA1ARPDE1CMAOBNPC1
SCHEMBL12140413 0.71 NPC1 (0.44) TRPA1ARNR3C1PDE1CMAOB
SCHEMBL904751 0.71 CTNNB1 (0.54) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL29728749 0.71 CTNNB1 (0.54) TRPA1CTNNB1TCF7CDC7TRPM5
SCHEMBL2627062 0.69 NOTUM (0.42) TRPA1CTNNB1TCF7TRPM5MPO

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-8198311-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-25 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-20100075961-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NR0B1, NFKB2 TRPA1 1834/4885CTNNB1 1310/4885TCF7 582/4885

“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.