SCHEMBL4535633

SCHEMBL4535633

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.56
TAAR1 Q96RJ0 2/20 0.54
PORCN Q9H237 2/20 0.52
ROCK2 O75116 7/20 0.50
ROCK1 Q13464 6/20 0.50
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
CYP3A4 P08684 1/20 0.49
CYP3A5 P20815 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
STAT3 P40763 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL27723715 1.00 AAK1 (0.56) AAK1TAAR1PORCNROCK2ROCK1
SCHEMBL10259810 1.00 AAK1 (0.56) AAK1TAAR1PORCNROCK2ROCK1
Hydrochloric Acid SCHEMBL4520449 0.99 AAK1 (0.54) AAK1TAAR1PORCNROCK2ROCK1
SCHEMBL4525642 0.86 AAK1 (0.53) AAK1TAAR1ROCK2ROCK1PSEN1
SCHEMBL27744408 0.86 AAK1 (0.53) AAK1TAAR1ROCK2ROCK1PSEN1
SCHEMBL4522243 0.86 AAK1 (0.53) AAK1TAAR1ROCK2ROCK1PSEN1
SCHEMBL16498403 0.82 AAK1 (0.58) AAK1TAAR1ROCK2ROCK1PSEN1
SCHEMBL16512502 0.82 AAK1 (0.61) AAK1TAAR1ROCK2ROCK1PSEN1
SCHEMBL10259357 0.81 ROCK2 (0.62) AAK1TAAR1ROCK2ROCK1PSEN1
SCHEMBL10259817 0.81 ROCK2 (0.56) AAK1TAAR1ROCK2ROCK1PSEN1

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 736/4885TAAR1 3374/4885PORCN 4455/4885

“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.