SCHEMBL10196141

SCHEMBL10196141

NC[C@H]1CC[C@H](NC(=O)c2cccc(CNC(=O)Nc3ccc(N)cc3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.55
ROCK2 O75116 8/20 0.52
SMYD3 Q9H7B4 2/20 0.49
PKN2 Q16513 2/20 0.49
GSPT1 P15170 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
PRKCE Q02156 1/20 0.45
PRKG1 Q13976 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
EPHX1 P07099 1/20 0.44

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
SCHEMBL307993 0.88 ROCK2 (0.69) NAMPTROCK2SMYD3PKN2PRKCE
SCHEMBL10159699 0.88 ROCK2 (0.69) NAMPTROCK2SMYD3PKN2PRKCE
SCHEMBL10195845 0.80 ROCK2 (0.76) NAMPTROCK2PKN2PRKCEPRKG1
SCHEMBL10196099 0.79 ROCK2 (0.80) ROCK2PKN2PRKCEPRKG1
SCHEMBL10198534 0.78 ROCK2 (0.68) NAMPTROCK2PKN2PRKCEPRKG1
SCHEMBL3651780 0.78 ROCK2 (0.62) NAMPTROCK2PKN2PRKCEPRKG1
SCHEMBL10195556 0.76 ROCK2 (0.81) ROCK2PKN2PRKCEPRKG1
SCHEMBL306730 0.76 ROCK2 (0.65) ROCK2PKN2PRKG1
SCHEMBL10159902 0.76 ROCK2 (0.65) ROCK2PKN2PRKG1
SCHEMBL3651783 0.75 NAMPT (0.72) NAMPTROCK2

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-8093266-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-10 US disclosed
US-20100041645-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-18 US disclosed
WO-2008086047-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO 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-20100041645-A1 RHO KINASE INHIBITORS CIT, ROCK1, RHOT2 NAMPT 2698/4885ROCK2 4/4885SMYD3 606/4885

“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.