SCHEMBL8937576

SCHEMBL8937576

CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(Cc4ccccc4Cl)CC3)cc12

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.45
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
CHRM1 P11229 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
CXCR4 P61073 1/20 0.39

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
SCHEMBL8937740 0.90 OPRM1 (0.42) OPRM1MEN1KMT2A
SCHEMBL8937591 0.90 SMN1; SMN2 (0.45) ACHESCN1ASCN8A
SCHEMBL8939119 0.89 OPRM1 (0.46) OPRM1CHRM1DRD2DRD4
SCHEMBL8937682 0.87 MAOA (0.44) OPRM1BCHEACHEMEN1KMT2A
SCHEMBL8937636 0.86 MAOA (0.47) OPRM1BCHEACHESCN1ASCN8A
SCHEMBL8939108 0.85 OPRM1 (0.40) OPRM1BCHEACHESCN1ASCN8A
SCHEMBL8937791 0.85 HRH1 (0.39) SCN1ASCN8A
SCHEMBL8937273 0.84 HRH1 (0.38)
SCHEMBL8937125 0.84 HRH1 (0.47) OPRM1
SCHEMBL8937219 0.84 OPRM1 (0.41) OPRM1BCHEACHEMEN1KMT2A

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 3345/4885BCHE 3883/4885ACHE 3559/4885

“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.