SCHEMBL8937242

SCHEMBL8937242

CCc1c[nH]c(=O)c2ccc(OC3CCN(CC4CCCCC4)CC3)c(F)c12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.40
OPRM1 P35372 5/20 0.40
OPRK1 P41145 5/20 0.40
HRH1 P35367 6/20 0.36
CCR3 P51677 6/20 0.36
SCN1A P35498 1/20 0.36
SCN8A Q9UQD0 1/20 0.36
HTR1A P08908 1/20 0.35
ACHE P22303 2/20 0.35
HTR4 Q13639 1/20 0.35
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
DRD2 P14416 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL8936609 0.89 OPRM1 (0.41) OPRL1OPRM1OPRK1HRH1CCR3
SCHEMBL8937187 0.88 HRH1 (0.39) HRH1CCR3HTR1ADRD2
SCHEMBL8938566 0.88 ROCK1 (0.35) HRH1CCR3HTR1A
SCHEMBL8937197 0.86 DRD2 (0.42) HRH1CCR3HTR1ADRD2
SCHEMBL8934541 0.85 BRD4 (0.39) HRH1CCR3HTR1A
SCHEMBL8937201 0.84 HRH1 (0.42) HRH1CCR3HTR1A
SCHEMBL8937200 0.84 MAOA (0.43) HRH1CCR3HTR1AHTR4DRD2
SCHEMBL8937203 0.83 HTR1A (0.37) HRH1CCR3HTR1ADRD2
SCHEMBL8939065 0.82 HTR1A (0.37) HRH1CCR3HTR1ADRD2
SCHEMBL8937220 0.82 HRH1 (0.39) OPRM1HRH1CCR3SCN1ASCN8A

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 OPRL1 3201/4885OPRM1 3345/4885OPRK1 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.