SCHEMBL859369

SCHEMBL859369

CC(=O)c1ccc(-c2ccc(C(Nc3ccccc3F)C(=O)N3CCCC3c3ccccc3F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.41
PPIB P23284 1/20 0.38
PPIA P62937 1/20 0.38
KCNH2 Q12809 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.36
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
F7 P08709 4/20 0.35
F3 P13726 4/20 0.35
ADAM17 P78536 2/20 0.35
HSD17B2 P37059 1/20 0.35
PLG P00747 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
FFAR2 O15552 2/20 0.34
MAOB P27338 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
SCHEMBL840878 0.92 ROCK2 (0.40) ROCK2PPIBPPIAKCNH2ALDH1A1
SCHEMBL9288405 0.88 ROCK2 (0.41) ROCK2PPIBPPIAALDH1A1PKM
SCHEMBL9289714 0.88 PPIB (0.40) ROCK2PPIBPPIAALDH1A1SCD
SCHEMBL9288752 0.88 PPIB (0.40) ROCK2PPIBPPIAALDH1A1SCD
SCHEMBL839869 0.86 ADAM17 (0.37) ROCK2PPIBPPIAKCNH2ALDH1A1
SCHEMBL859478 0.86 PPIB (0.36) ROCK2PPIBPPIAKCNH2ALDH1A1
SCHEMBL1937979 0.85 LMNA (0.43) ROCK2PPIBPPIAALDH1A1SCD
SCHEMBL840035 0.85 PPIB (0.39) ROCK2PPIBPPIAALDH1A1SCD
SCHEMBL859226 0.85 PPIB (0.39) ROCK2PPIBPPIAALDH1A1SCD
SCHEMBL839477 0.85 ADAM17 (0.47) ROCK2SCDSCD5ADAM17HSD17B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143259-B2 Cold menthol receptor antagonists JANSSEN PHARMACEUTICA, NV (BE) 2012-03-27 US disclosed
US-20100048589-A1 Cold Menthol Receptor Antagonists JANSSEN PHARMACEUTICA NV (BE) 2010-02-25 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-20100048589-A1 Cold Menthol Receptor Antagonists TRPV1, TRPM2, TRPM6 ROCK2 3475/4885PPIB 3094/4885PPIA 4407/4885

“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.