SCHEMBL4533562

SCHEMBL4533562

CC(=O)N1CCc2cc(-c3ccncc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 12/20 0.72
CYP11B1 P15538 12/20 0.72
NOTUM Q6P988 7/20 0.60

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
SCHEMBL8239512 0.85 CYP11B1 (0.82) CYP11B2CYP11B1NOTUM
SCHEMBL18148229 0.84 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL8486184 0.83 CYP11B1 (0.56) CYP11B2CYP11B1
SCHEMBL4740743 0.83 CYP11B1 (0.63) CYP11B2CYP11B1NOTUM
SCHEMBL15638777 0.83 CYP11B2 (1.00) CYP11B2CYP11B1
SCHEMBL16989882 0.82 CYP11B2 (1.00) CYP11B2CYP11B1NOTUM
SCHEMBL23187985 0.81 CYP11B2 (0.76) CYP11B2CYP11B1NOTUM
SCHEMBL15639689 0.80 CYP11B2 (1.00) CYP11B2CYP11B1NOTUM
SCHEMBL15639251 0.80 CYP11B2 (1.00) CYP11B2CYP11B1NOTUM
SCHEMBL6394572 0.80 HSD17B3 (0.71) NOTUM

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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 US disclosed
CN-101253152-A Amide derivatives as ROCK inhibitors ASTELLAS PHARMA INC (JP) 2008-08-27 CN disclosed
EP-1922306-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS Astellas Pharma Inc. (JP) 2008-05-21 EP disclosed
WO-2007026920-A2 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-03-08 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-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ROCK1, ROCK2, RHOA CYP11B2 911/4885CYP11B1 971/4885NOTUM 2558/4885

“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.