SCHEMBL8938824

SCHEMBL8938824

Cc1ccc(CN2CCC(Oc3cc4c(C)c[nH]c(=O)c4cc3C)CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.48
OPRD1 P41143 3/20 0.48
OPRK1 P41145 3/20 0.48
CACNA1F O60840 2/20 0.48
CHRM1 P11229 2/20 0.48
ADRA1D P25100 2/20 0.48
HTR7 P34969 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
OPRL1 P41146 2/20 0.48
CACNA1D Q01668 2/20 0.48
CACNA1S Q13698 2/20 0.48
CACNA1C Q13936 2/20 0.48
DRD4 P21917 2/20 0.48
CHRM2 P08172 1/20 0.48
DRD2 P14416 1/20 0.48
DRD1 P21728 1/20 0.48
DRD3 P35462 1/20 0.48
HRH1 P35367 6/20 0.41
CCR3 P51677 6/20 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
SCHEMBL8935595 0.93 HRH1 (0.46) OPRM1OPRD1OPRK1CACNA1FCHRM1
SCHEMBL8935587 0.90 OPRM1 (0.47) OPRM1CHRM1DRD4DRD2HRH1
SCHEMBL8938841 0.87 OPRM1 (0.43) OPRM1DRD4DRD2DRD3HRH1
SCHEMBL8938792 0.87 ROCK1 (0.51) OPRM1OPRD1OPRK1CACNA1FCHRM1
SCHEMBL8939156 0.86 ROCK1 (0.52) OPRM1OPRD1OPRK1CACNA1FCHRM1
SCHEMBL8935590 0.84 MAOB (0.49) OPRM1OPRK1OPRL1DRD4DRD2
SCHEMBL8938969 0.84 OPRM1 (0.44) OPRM1OPRD1OPRK1CACNA1FCHRM1
SCHEMBL8939119 0.84 OPRM1 (0.46) OPRM1OPRD1OPRK1CACNA1FCHRM1
SCHEMBL8935605 0.83 MAOA (0.48) OPRK1DRD4DRD2DRD3SCN1A
SCHEMBL8935610 0.82 HRH1 (0.43) DRD4DRD2HRH1CCR3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188117-B2 Piperidinyl-substituted isoquinolone derivatives SANOFI-AVENTIS (FR) 2012-05-29 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 3345/4885OPRD1 2836/4885OPRK1 2154/4885

“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.