SCHEMBL8935595

SCHEMBL8935595

Cc1cc2c(=O)[nH]cc(C)c2cc1OC1CCN(Cc2ccc(Cl)cc2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.46
CCR3 P51677 5/20 0.46
KCNH2 Q12809 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 4/20 0.42
CACNA1F O60840 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
ADRA1D P25100 1/20 0.40
HTR7 P34969 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
OPRL1 P41146 1/20 0.40

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 0.93 OPRM1 (0.48) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL8935587 0.90 OPRM1 (0.47) HRH1CCR3MEN1KMT2AOPRM1
SCHEMBL8935590 0.88 MAOB (0.49) HRH1CCR3KCNH2OPRM1DRD2
SCHEMBL8935171 0.87 ROCK1 (0.51) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL8937948 0.86 ROCK1 (0.52) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL8935571 0.85 MAOA (0.52) HRH1CCR3KCNH2OPRM1DRD2
SCHEMBL8935610 0.84 HRH1 (0.43) HRH1CCR3KCNH2DRD2DRD4
SCHEMBL8936712 0.84 HRH1 (0.47) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL8938841 0.83 OPRM1 (0.43) HRH1CCR3KCNH2OPRM1DRD2
SCHEMBL8935605 0.83 MAOA (0.48) DRD2DRD4DRD3OPRK1

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 HRH1 2936/4885CCR3 3890/4885KCNH2 2400/4885

“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.