SCHEMBL4521895

SCHEMBL4521895

CC(C)(C)c1ccccc1N(CC(=O)N1CCc2cc(-c3ccncc3)ccc21)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.48
CYP11B1 P15538 10/20 0.48
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
EIF2AK3 Q9NZJ5 3/20 0.42
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
EIF2AK1 Q9BQI3 1/20 0.39
USP30 Q70CQ3 2/20 0.39

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
SCHEMBL4521887 0.83 CYP11B1 (0.47) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL4521885 0.80 CYP11B1 (0.52) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL4521891 0.76 CYP11B2 (0.48) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL4527947 0.76 CYP11B1 (0.78) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL10259875 0.73 HTR2A (0.58) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
Hydrochloric Acid SCHEMBL4531569 0.72 HTR2A (0.57) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL4533237 0.72 CYP11B1 (0.48) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL4521679 0.72 CYP11B1 (0.48) CYP11B2CYP11B1HTR2AHTR2CEIF2AK3
SCHEMBL4525619 0.72 ROCK2 (0.44)
SCHEMBL4533562 0.71 CYP11B2 (0.72) CYP11B2CYP11B1

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 4 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
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 971/4885HTR2A 3943/4885

“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.