SCHEMBL8936855

SCHEMBL8936855

Cc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccc5ccccc5c4)CC3)c(F)c12

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
ENPP2 Q13822 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
MCHR1 Q99705 3/20 0.41
CCR3 P51677 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
HTR1D P28221 1/20 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
SCHEMBL8937227 0.90 ACHE (0.43) ACHEENPP2MEN1KMT2ASCN1A
SCHEMBL8936664 0.89 SMN1; SMN2 (0.48) ACHESCN1ASCN8ACCR3MAOA
SCHEMBL8936719 0.87 HRH1 (0.42) ACHESCN1ASCN8ACCR3MAOA
SCHEMBL8936686 0.86 MAOB (0.47) ACHESCN8ACCR3MAOAMAOB
SCHEMBL8936704 0.85 HRH1 (0.45) CCR3MAOAMAOB
SCHEMBL8936820 0.84 ADRB2 (0.43) ACHEENPP2CCR3MAOAMAOB
SCHEMBL8936773 0.83 HRH1 (0.46) SCN1ASCN8ACCR3MAOAMAOB
SCHEMBL8938964 0.83 HRH1 (0.39) ACHEENPP2SCN1ASCN8ACCR3
SCHEMBL8938967 0.82 HRH1 (0.44) MEN1KMT2ASCN1ASCN8ACCR3
SCHEMBL8936973 0.82 SCN8A (0.39) MEN1KMT2ASCN1ASCN8ACCR3

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 ACHE 3559/4885ENPP2 850/4885MEN1 4354/4885

“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.