SCHEMBL8935587

SCHEMBL8935587

Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(Cc2ccccc2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.47
DRD4 P21917 1/20 0.46
BCHE P06276 1/20 0.43
ACHE P22303 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SCN1A P35498 1/20 0.42
SCN8A Q9UQD0 1/20 0.42
CHRM1 P11229 2/20 0.42
DRD2 P14416 1/20 0.42
CXCR4 P61073 2/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41

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
SCHEMBL8938824 0.90 OPRM1 (0.48) OPRM1DRD4MEN1KMT2ASCN1A
SCHEMBL8935595 0.90 HRH1 (0.46) OPRM1DRD4MEN1KMT2ACHRM1
SCHEMBL8935605 0.88 MAOA (0.48) DRD4ACHESCN1ASCN8ADRD2
SCHEMBL8935163 0.86 ROCK1 (0.52) OPRM1BCHEACHEKMT2AHRH1
SCHEMBL8937951 0.86 ROCK1 (0.52) OPRM1DRD4BCHEACHEMEN1
SCHEMBL8935590 0.85 MAOB (0.49) OPRM1DRD4BCHEACHEDRD2
SCHEMBL8938841 0.84 OPRM1 (0.43) OPRM1DRD4BCHEACHESCN1A
SCHEMBL8935571 0.84 MAOA (0.52) OPRM1DRD4BCHEACHESCN1A
SCHEMBL8935610 0.83 HRH1 (0.43) DRD4SCN1ASCN8ADRD2HRH1
SCHEMBL8936649 0.82 HRH1 (0.41) OPRM1DRD4BCHEACHEMEN1

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 OPRM1 3345/4885DRD4 4443/4885BCHE 3883/4885

“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.