SCHEMBL4535880

SCHEMBL4535880

CC(C)(C)OC[C@H](Nc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.46
CYP17A1 P05093 2/20 0.45
ROCK2 O75116 7/20 0.44
ROCK1 Q13464 6/20 0.44
TAAR1 Q96RJ0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
STAT3 P40763 1/20 0.43
PORCN Q9H237 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
PSEN1 P49768 2/20 0.42
PSEN2 P49810 2/20 0.42
APH1B Q8WW43 2/20 0.42
NCSTN Q92542 2/20 0.42
APH1A Q96BI3 2/20 0.42
PSENEN Q9NZ42 2/20 0.42
GPR142 Q7Z601 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42

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
SCHEMBL4531724 1.00 AAK1 (0.46) AAK1CYP17A1ROCK2ROCK1TAAR1
SCHEMBL27723712 1.00 AAK1 (0.46) AAK1CYP17A1ROCK2ROCK1TAAR1
SCHEMBL10259354 0.82 ROCK2 (0.56) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
SCHEMBL10259817 0.82 ROCK2 (0.56) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4534846 0.81 ROCK2 (0.55) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
Hydrochloric Acid SCHEMBL4525191 0.81 ROCK2 (0.55) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
SCHEMBL27723715 0.76 AAK1 (0.56) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
SCHEMBL4535633 0.76 AAK1 (0.56) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
SCHEMBL10259810 0.76 AAK1 (0.56) AAK1ROCK2ROCK1TAAR1SMN1; SMN2
SCHEMBL4522437 0.76 KEAP1 (0.50)

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 AAK1 736/4885CYP17A1 3015/4885ROCK2 2/4885

“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.