SCHEMBL31258409

SCHEMBL31258409

O=C(NCc1ccc(-c2cn[nH]c2)cc1)C1CNCC(c2ccccc2)C1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 14/20 0.52
ROCK1 Q13464 2/20 0.46
MC4R P32245 1/20 0.43
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
DPP4 P27487 1/20 0.42
KIT P10721 1/20 0.42

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
SCHEMBL31258399 0.88 MC4R (0.51) MC4RDPP4
SCHEMBL31258391 0.80 BCL9 (0.47) ROCK2ROCK1BCL9CTNNB1
SCHEMBL31258390 0.79 HTR2C (0.51) ROCK2ROCK1BCL9CTNNB1KIT
SCHEMBL1792830 0.70 MC4R (0.75) MC4RDPP4
SCHEMBL31258400 0.70 ROCK2 (0.60) ROCK2ROCK1
SCHEMBL3249722 0.69 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL3248267 0.69 ROCK2 (0.66) ROCK2ROCK1
SCHEMBL31023451 0.68 EPHX2 (0.62) ROCK2ROCK1
SCHEMBL4008398 0.68 AKR1C3 (0.61) DPP4
SCHEMBL26302856 0.68 AKR1C3 (0.61) DPP4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION Nantong Jutai Biotech Co., Ltd. (CN) 2024-11-28 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-20240391896-A1 SMALL MOLECULE COMPOUND TARGETING BCL9/BETA-CATENIN INTERACTION BCL9, BCL9L, BCL2L11 ROCK2 727/4885ROCK1 380/4885MC4R 3180/4885

“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.