SCHEMBL5412403

SCHEMBL5412403

COCC(=O)N[C@@H]1CCC[C@H](Oc2ccc3[nH]ncc3c2C)C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ROCK2 O75116 2/20 0.39
TRPV1 Q8NER1 4/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
ROCK1 Q13464 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5412399 1.00 NPSR1 (0.40) NPSR1ROCK2TRPV1PIK3CDPIK3CA
SCHEMBL5412412 1.00 NPSR1 (0.40) NPSR1ROCK2TRPV1PIK3CDPIK3CA
SCHEMBL5414967 0.90 FASN (0.40) ROCK2TRPV1
SCHEMBL5414973 0.90 FASN (0.40) ROCK2TRPV1
SCHEMBL5414966 0.90 FASN (0.40) ROCK2TRPV1
SCHEMBL5405943 0.89 TRPV1 (0.39) ROCK2TRPV1
SCHEMBL5405935 0.89 TRPV1 (0.39) ROCK2TRPV1
SCHEMBL5405938 0.89 TRPV1 (0.39) ROCK2TRPV1
SCHEMBL5407887 0.88 LDHA (0.43) NPSR1ROCK2PIK3CDPIK3CAPIK3CB
SCHEMBL5407883 0.88 LDHA (0.43) NPSR1ROCK2PIK3CDPIK3CAPIK3CB

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-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 EP 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA NPSR1 2231/4885ROCK2 2/4885TRPV1 4181/4885

“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.