SCHEMBL8936712

SCHEMBL8936712

Cc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc(Cl)cc4Cl)CC3)c(F)c12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 7/20 0.47
CCR3 P51677 7/20 0.47
KCNH2 Q12809 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRM1 P35372 2/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
EPHX2 P34913 1/20 0.38
FPR2 P25090 2/20 0.38
PROKR1 Q8TCW9 2/20 0.38
GSK3B P49841 1/20 0.37
CXCR3 P49682 1/20 0.37

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
SCHEMBL8938969 0.93 OPRM1 (0.44) HRH1CCR3KCNH2OPRM1
SCHEMBL8936649 0.89 HRH1 (0.41) HRH1CCR3MEN1KMT2AOPRM1
SCHEMBL8936686 0.88 MAOB (0.47) HRH1CCR3KCNH2OPRM1MAOA
SCHEMBL8936704 0.86 HRH1 (0.45) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8938967 0.84 HRH1 (0.44) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL8935595 0.84 HRH1 (0.46) HRH1CCR3KCNH2MEN1KMT2A
SCHEMBL8936719 0.83 HRH1 (0.42) HRH1CCR3KCNH2OPRM1MAOA
SCHEMBL8936664 0.83 SMN1; SMN2 (0.48) HRH1CCR3MAOAMAOB
SCHEMBL8936493 0.82 HRH1 (0.42) HRH1CCR3KCNH2MAOAMAOB
SCHEMBL8935171 0.82 ROCK1 (0.51) HRH1CCR3KCNH2MEN1KMT2A

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.