SCHEMBL11935697

SCHEMBL11935697

Cc1cc(C(=O)NC(C)C)c(C)c(C)c1NCCCCCN

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 4/20 0.37
ROCK2 O75116 3/20 0.37
ALOX5 P09917 1/20 0.35
PRKCG P05129 1/20 0.33
PRKACA P17612 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CDK2 P24941 1/20 0.33
MARK3 P27448 1/20 0.33
MAPK1 P28482 1/20 0.33
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PRKX P51817 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKG2 Q13237 1/20 0.33
DYRK1A Q13627 1/20 0.33
PRKG1 Q13976 1/20 0.33
PKN2 Q16513 1/20 0.33

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
SCHEMBL17090272 0.82 ALDH1A1 (0.32) L3MBTL1
SCHEMBL11935695 0.80 PAOX (0.37) ROCK1ROCK2PAOXCHRNDCHRNA1
SCHEMBL11935696 0.80 ROCK1 (0.41) ROCK1ROCK2ALOX5PRKCGPRKACA
SCHEMBL11935789 0.75 ROCK1 (0.45) ROCK1ROCK2PRKCGPRKACARPS6KB1
SCHEMBL11936022 0.74 ALOX5 (0.46) ALOX5L3MBTL1
SCHEMBL11935841 0.72 GART (0.43) ROCK1ROCK2
SCHEMBL11935795 0.71 TAS1R3 (0.41) CTSLCTSSCTSK
SCHEMBL11935652 0.69 MLYCD (0.48) CTSLCTSSCTSKF2
SCHEMBL10115461 0.69 ALDH1A1 (0.40)
SCHEMBL11935029 0.68 NPSR1 (0.49) ROCK2CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-9150507-B2 Amine derivative having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2015-10-06 US disclosed
US-8227618-B2 Amine-derivatives having NPY Y5 receptor antagonistic activity and the uses thereof SHIONOGI & CO., LTD. (JP) 2012-07-24 US disclosed
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF SHIONOGI & CO., LTD. (JP) 2010-10-28 US disclosed
US-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2010-03-11 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 (2 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-20100063027-A1 Amine Derivative Having NPY Y5 Receptor Antagonistic Activity NPY5R, NPY1R, NPY2R ROCK1 1104/4885ROCK2 1003/4885ALOX5 372/4885
US-20100273841-A1 AMINE-DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY AND THE USES THEREOF NPY5R, NPY1R, NPY2R ROCK1 1460/4885ROCK2 1404/4885ALOX5 301/4885

“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.