SCHEMBL8937219

SCHEMBL8937219

CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccccc4Cl)CC3)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 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
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CXCR4 P61073 1/20 0.39
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL8936649 0.91 HRH1 (0.41) OPRM1MEN1KMT2ASCN1ASCN8A
SCHEMBL8984820 0.90 KMT2A (0.43) KMT2ASCN1ASCN8ABCHEACHE
SCHEMBL8937216 0.86 HRH1 (0.42) SCN1ASCN8AHRH1CCR3
SCHEMBL8937187 0.85 HRH1 (0.39) HRH1CCR3DRD2
SCHEMBL8937220 0.85 HRH1 (0.39) OPRM1MEN1KMT2ASCN1ASCN8A
SCHEMBL8937204 0.85 MAOA (0.49) OPRM1SCN1ASCN8ABCHEACHE
SCHEMBL8937222 0.84 SCN5A (0.44) KMT2ASCN8ABCHEACHEALDH1A1
SCHEMBL8937197 0.84 DRD2 (0.42) HRH1CCR3DRD2
SCHEMBL8937576 0.84 OPRM1 (0.45) OPRM1MEN1KMT2ASCN1ASCN8A
SCHEMBL8937227 0.83 ACHE (0.43) OPRM1MEN1KMT2ASCN1ASCN8A

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 3345/4885MEN1 4354/4885KMT2A 3339/4885

“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.