SCHEMBL4533616

SCHEMBL4533616

N[C@H](CCc1ccccc1)C(=O)Nc1ccc(-c2ccncc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.61
ROCK2 O75116 10/20 0.60
ROCK1 Q13464 8/20 0.60
MMP12 P39900 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 1/20 0.50
GPR142 Q7Z601 2/20 0.49
LTA4H P09960 2/20 0.49
TAAR1 Q96RJ0 1/20 0.49
CIT O14578 1/20 0.47
AKT1 P31749 1/20 0.47

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
SCHEMBL27744399 1.00 AAK1 (0.61) AAK1ROCK2ROCK1MMP12MMP13
SCHEMBL4950370 0.91 TAAR1 (0.59) ROCK2ROCK1MMP12MMP13LTA4H
SCHEMBL2802584 0.87 ROCK2 (0.64) AAK1ROCK2ROCK1GPR142TAAR1
SCHEMBL2802593 0.87 ROCK2 (0.64) AAK1ROCK2ROCK1GPR142TAAR1
SCHEMBL10260826 0.87 ROCK2 (0.64) AAK1ROCK2ROCK1GPR142TAAR1
Hydrochloric Acid SCHEMBL4525075 0.86 ROCK2 (0.62) AAK1ROCK2ROCK1GPR142TAAR1
SCHEMBL15143051 0.85 LTA4H (0.56) ROCK2ROCK1LTA4H
SCHEMBL16006049 0.82 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL17394729 0.82 ROCK2 (0.70) ROCK2ROCK1
SCHEMBL1105174 0.80 ROCK2 (0.61) ROCK2ROCK1

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 9 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-8211919-B2 Amide derivatives as rock inhibitors ASTELLAS PHARMA INC. (JP) 2012-07-03 US disclosed
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
US-20090105231-A1 AMIDE DERIVATIVES AS ROCK INHIBITORS ASTELLAS PHARMA INC. (JP) 2009-04-23 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
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 736/4885ROCK2 2/4885ROCK1 1/4885

“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.