SCHEMBL8936719

SCHEMBL8936719

Cc1ccc(CN2CCC(Oc3ccc4c(=O)[nH]cc(C)c4c3F)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.42
CCR3 P51677 4/20 0.42
MAOA P21397 3/20 0.39
MAOB P27338 3/20 0.39
SCN8A Q9UQD0 2/20 0.39
SCN1A P35498 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
KCNH2 Q12809 1/20 0.37
HTR1D P28221 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL8936686 0.93 MAOB (0.47) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8936664 0.92 SMN1; SMN2 (0.48) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8936820 0.91 ADRB2 (0.43) HRH1CCR3MAOAMAOBSMN1; SMN2
SCHEMBL8937220 0.90 HRH1 (0.39) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8936773 0.90 HRH1 (0.46) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8938964 0.90 HRH1 (0.39) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8936704 0.90 HRH1 (0.45) HRH1CCR3MAOAMAOBSMN1; SMN2
SCHEMBL8938967 0.89 HRH1 (0.44) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8936890 0.88 TEAD1 (0.41) HRH1CCR3MAOAMAOBSCN8A
SCHEMBL8938969 0.87 OPRM1 (0.44) HRH1CCR3SCN8ASCN1AOPRM1

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 5 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-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 3890/4885MAOA 2633/4885

“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.