SCHEMBL13890296

SCHEMBL13890296

CCc1c[nH]c(=O)c2ccc(OC3CCN(Cc4cccc(C)c4)CC3)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.42
BCHE P06276 3/20 0.42
SCN1A P35498 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
HTR1D P28221 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
BACE1 P56817 1/20 0.38
HRH1 P35367 1/20 0.38
CCR3 P51677 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL8937204 0.90 MAOA (0.49) ACHEBCHESCN1ASCN8AMAOA
SCHEMBL8937220 0.89 HRH1 (0.39) ACHEBCHESCN1ASCN8AMAOA
SCHEMBL8939062 0.88 HRH1 (0.41) SCN1ASCN8AMAOAMAOBHRH1
SCHEMBL8937227 0.87 ACHE (0.43) ACHESCN1ASCN8ACCR3ENPP2
SCHEMBL8937216 0.86 HRH1 (0.42) SCN1ASCN8AMAOAMAOBHRH1
SCHEMBL8937221 0.85 SCN8A (0.41) SCN8AHTR1DCHRM2CHRM3DRD2
SCHEMBL8987720 0.85 BCHE (0.43) ACHEBCHESCN1ASCN8AMAOA
SCHEMBL8984820 0.85 KMT2A (0.43) ACHEBCHESCN1ASCN8ACHRM2
SCHEMBL8937187 0.84 HRH1 (0.39) DRD2HRH1CCR3
SCHEMBL8937197 0.82 DRD2 (0.42) MAOAMAOBDRD2HRH1CCR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3559/4885BCHE 3883/4885SCN1A 1086/4885

“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.