SCHEMBL8936948

SCHEMBL8936948

Cc1c[nH]c(=O)c2ccc(OC3CCN(Cc4n[nH]c5ccccc45)CC3)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.38
CCR3 P51677 5/20 0.38
PARP1 P09874 3/20 0.36
SCN8A Q9UQD0 2/20 0.34
S1PR5 Q9H228 4/20 0.34
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FPR2 P25090 1/20 0.33
PROKR1 Q8TCW9 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
SCN1A P35498 1/20 0.33
CTSS P25774 1/20 0.33
PRAP1 Q96NZ9 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 0.85 SMN1; SMN2 (0.48) HRH1CCR3PARP1SCN8AACHE
SCHEMBL8936852 0.82 SCN5A (0.42) SCN8AACHEKCNH2
SCHEMBL8936649 0.81 HRH1 (0.41) HRH1CCR3SCN8AACHEDRD2
SCHEMBL8936493 0.81 HRH1 (0.42) HRH1CCR3PARP1KCNH2MAOA
SCHEMBL8936719 0.81 HRH1 (0.42) HRH1CCR3SCN8AACHESMN1; SMN2
SCHEMBL8936686 0.80 MAOB (0.47) HRH1CCR3SCN8AACHESMN1; SMN2
SCHEMBL8936855 0.80 ACHE (0.44) CCR3SCN8AACHEMAOAMAOB
SCHEMBL8936944 0.79 KDM4A (0.41) HRH1CCR3SCN8ASMN1; SMN2KCNH2
SCHEMBL8936533 0.79 HRH1 (0.46) HRH1CCR3KCNH2
SCHEMBL8936704 0.79 HRH1 (0.45) HRH1CCR3SMN1; SMN2KCNH2MAOA

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 3890/4885PARP1 1294/4885

“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.