SCHEMBL8937451

SCHEMBL8937451

CCc1c[nH]c(=O)c2cc(F)c(OC3CCN(C(C)C)CC3)cc12

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.43
POLB P06746 1/20 0.36
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL8937388 0.88 HRH1 (0.41) HRH3HRH1CCR3
SCHEMBL8937273 0.87 HRH1 (0.38) HRH3HRH1CCR3
SCHEMBL2569182 0.87 HRH3 (0.45) HRH3HRH1CCR3CYP2D6
SCHEMBL8937479 0.86 PARP1 (0.41) HRH3HRH1CCR3
SCHEMBL8937316 0.85 DRD2 (0.40) HRH3HRH1CCR3SLC5A7
SCHEMBL8938587 0.84 EPHX2 (0.37)
SCHEMBL8937447 0.84 HRH1 (0.37) HRH3HRH1CCR3
SCHEMBL8937579 0.83 HRH3 (0.42) HRH3HRH1CCR3
SCHEMBL8937313 0.83 MAOA (0.42) HRH3HRH1CCR3CYP2D6
SCHEMBL8934460 0.83 ROCK1 (0.39) HRH1

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 HRH3 3637/4885POLB 698/4885HRH1 2936/4885

“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.