SCHEMBL8935042

SCHEMBL8935042

O=c1[nH]ccc2cc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(Cl)cc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.54
SCN1A P35498 1/20 0.49
SCN8A Q9UQD0 1/20 0.49
ACHE P22303 1/20 0.45
MCHR1 Q99705 5/20 0.43
ENPP2 Q13822 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
KCNH2 Q12809 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43

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
SCHEMBL8934981 0.91 MAP2K1 (0.59) MAP2K1SCN1ASCN8A
SCHEMBL8938278 0.89 MAP2K1 (0.59) MAP2K1SCN1ASCN8AMCHR1OPRM1
SCHEMBL8937944 0.89 ROCK1 (0.52) SCN1ASCN8AACHEMCHR1ENPP2
SCHEMBL8938119 0.88 MAP2K1 (0.55) MAP2K1SCN1ASCN8AACHEMCHR1
SCHEMBL8938176 0.88 MAP2K1 (0.55) MAP2K1SCN1ASCN8AACHEKMT2A
SCHEMBL8938170 0.88 MAP2K1 (0.55) MAP2K1MCHR1ENPP2KMT2AMEN1
SCHEMBL8935003 0.87 MAP2K1 (0.57) MAP2K1SCN1ASCN8AACHEMCHR1
SCHEMBL8938150 0.87 MAP2K1 (0.57) MAP2K1MCHR1ENPP2KMT2AMEN1
SCHEMBL8934996 0.86 MAP2K1 (0.58) MAP2K1SCN1ASCN8AMCHR1
SCHEMBL8938182 0.86 MAP2K1 (0.52) MAP2K1SCN1ASCN8AMCHR1OPRM1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385047-B1 Piperidinyl-substituted isoquinolone derivatives SANOFI SA (FR) 2013-05-29 EP disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 US disclosed
EP-2385047-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI (FR) 2011-11-09 EP disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US disclosed
US-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2009-04-09 US 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-20090093518-A1 Piperidinyl-substituted isoquinolone derivatives MYLK2, MYLK, RHOT2 MAP2K1 1916/4885SCN1A 1086/4885SCN8A 2875/4885

“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.