SCHEMBL8936973

SCHEMBL8936973

Cc1c[nH]c(=O)c2ccc(OC3CCN(Cc4ccsc4)CC3)c(F)c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 7/20 0.39
HRH1 P35367 4/20 0.38
CCR3 P51677 4/20 0.38
SCN1A P35498 6/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
KCNH2 Q12809 1/20 0.34
HTR1D P28221 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL8936664 0.87 SMN1; SMN2 (0.48) SCN8AHRH1CCR3SCN1ASMN1; SMN2
SCHEMBL8936719 0.87 HRH1 (0.42) SCN8AHRH1CCR3SCN1ASMN1; SMN2
SCHEMBL8936686 0.86 MAOB (0.47) SCN8AHRH1CCR3SMN1; SMN2MAOA
SCHEMBL8936704 0.84 HRH1 (0.45) HRH1CCR3SMN1; SMN2MAOAMAOB
SCHEMBL8936939 0.84 HRH1 (0.38) SCN8AHRH1CCR3SCN1ASMN1; SMN2
SCHEMBL8936820 0.84 ADRB2 (0.43) HRH1CCR3ALDH1A1SMN1; SMN2MAOA
SCHEMBL8936493 0.83 HRH1 (0.42) HRH1CCR3MAOAMAOBKCNH2
SCHEMBL8936944 0.83 KDM4A (0.41) SCN8AHRH1CCR3SCN1ASMN1; SMN2
SCHEMBL8936773 0.83 HRH1 (0.46) SCN8AHRH1CCR3SCN1AMAOA
SCHEMBL8938964 0.83 HRH1 (0.39) SCN8AHRH1CCR3SCN1ASMN1; SMN2

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 SCN8A 2875/4885HRH1 2936/4885CCR3 3890/4885

“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.