SCHEMBL350994

SCHEMBL350994

O=C(OCc1ccc(OC(F)(F)F)c(Cl)c1)N1CCc2c[nH]nc2C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 5/20 0.44
ATXN2 Q99700 4/20 0.44
PTGDR2 Q9Y5Y4 11/20 0.43
PDE5A O76074 1/20 0.41
TRPV1 Q8NER1 1/20 0.37
DGAT2 Q96PD7 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
SCHEMBL351769 0.88 PTGDR2 (0.46) ENPP2ATXN2PTGDR2TRPV1
SCHEMBL542701 0.78 S1PR1 (0.41) ENPP2ATXN2PTGDR2DGAT2
SCHEMBL542959 0.78 HPGD (0.43) ENPP2ATXN2PTGDR2
SCHEMBL351757 0.74 PDE5A (0.38) ENPP2ATXN2PTGDR2PDE5ATRPV1
SCHEMBL17112967 0.72 ENPP2 (0.37) ENPP2ATXN2PTGDR2PDE5ATRPV1
SCHEMBL17112952 0.72 ENPP2 (0.36) ENPP2ATXN2PTGDR2PDE5ATRPV1
SCHEMBL17112937 0.72 ENPP2 (0.36) ENPP2ATXN2PTGDR2PDE5ATRPV1
SCHEMBL543666 0.70 KDM4A (0.44) ENPP2ATXN2PTGDR2DGAT2
SCHEMBL11900910 0.67 FNTA (0.37) ENPP2ATXN2PTGDR2PDE5ADGAT2
SCHEMBL11900908 0.67 FNTA (0.37) ENPP2ATXN2PTGDR2PDE5ADGAT2

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-20120015976-A1 AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANK TER HAFTUNG (DE) 2012-01-19 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-20120015976-A1 AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, LPCAT1 ENPP2 1/4885ATXN2 601/4885PTGDR2 1463/4885

“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.