SCHEMBL3225438

SCHEMBL3225438

CCCNC1CCC(NC(=O)c2cccc(-c3ccncc3)c2)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 18/20 0.58
ROCK1 Q13464 7/20 0.58
SMYD3 Q9H7B4 1/20 0.48

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
SCHEMBL3236774 0.84 ROCK2 (0.56) ROCK2ROCK1
SCHEMBL3225440 0.78 PRMT6 (0.56) ROCK2ROCK1
SCHEMBL25718791 0.76 ROCK2 (0.63) ROCK2ROCK1
SCHEMBL21256985 0.75 ROCK2 (0.88) ROCK2ROCK1
SCHEMBL13626335 0.74 AURKA (0.64) ROCK2ROCK1
SCHEMBL25718947 0.74 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL20113298 0.73 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL2980074 0.73 PKM (0.68)
SCHEMBL20113328 0.72 ROCK2 (1.00) ROCK2ROCK1
SCHEMBL1928387 0.72 RAB9A (0.67)

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-8242142-B2 Cyclohexylamines, phenylamines and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-08-14 US disclosed
WO-2010022159-A1 CYCLOHEXYLAMINES, PHENYLAMINES AND USES THEREOF BIOSYNERGO (KY) 2010-02-25 WO disclosed
US-20100048637-A1 CYCLOHEXYLAMINES, PHENYLAMINES AND USES THEREOF PEKING UNIVERSITY SHENZHEN GRADUATE SCHOOL (CN) 2010-02-25 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-20100048637-A1 CYCLOHEXYLAMINES, PHENYLAMINES AND USES THEREOF SMO, HNMT, INMT ROCK2 3493/4885ROCK1 3496/4885SMYD3 184/4885

“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.