SCHEMBL8937221

SCHEMBL8937221

CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccnc4)CC3)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.41
SCN9A Q15858 1/20 0.41
KMT2A Q03164 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
DRD3 P35462 1/20 0.38
OXTR P30559 1/20 0.38
KDM4E B2RXH2 1/20 0.37
PARP1 P09874 1/20 0.37
JAK2 O60674 2/20 0.37
JAK1 P23458 2/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
HTR1D P28221 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
SCHEMBL13890296 0.85 ACHE (0.42) SCN8ACHRM2CHRM3DRD2DRD4
SCHEMBL8937220 0.85 HRH1 (0.39) SCN8AKMT2AHTR1D
SCHEMBL8937204 0.84 MAOA (0.49) SCN8ACHRM2CHRM3DRD2DRD4
SCHEMBL8937216 0.84 HRH1 (0.42) SCN8A
SCHEMBL8937222 0.83 SCN5A (0.44) SCN8ASCN9AKMT2ACCNT1CDK9
SCHEMBL8937187 0.83 HRH1 (0.39) DRD2PARP1
SCHEMBL8937227 0.83 ACHE (0.43) SCN8AKMT2A
SCHEMBL8984820 0.82 KMT2A (0.43) SCN8AKMT2ACHRM2CHRM3DRD2
SCHEMBL8937197 0.81 DRD2 (0.42) DRD2PARP1
SCHEMBL8937219 0.81 OPRM1 (0.41) SCN8AKMT2ADRD2DRD4

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 2875/4885SCN9A 2824/4885KMT2A 3339/4885

“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.