SCHEMBL13638283

SCHEMBL13638283

CCCCOC(=O)N(CCC(C)C)Cc1ccc(-c2cccc(C#N)c2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.39
PTGS2 P35354 3/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
MCHR1 Q99705 5/20 0.36
AGTR2 P50052 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
MMP12 P39900 1/20 0.34
MMP13 P45452 1/20 0.34
RORC P51449 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 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
SCHEMBL14217477 0.89 AKR1C3 (0.42) FAAHPTGS2LPAR1LPAR5AGTR2
SCHEMBL13638253 0.86 FAAH (0.39) FAAHPTGS2LPAR1LPAR5RORC
SCHEMBL4073264 0.86 PTGDR2 (0.38) CNR1CNR2LPAR1LPAR5MCHR1
SCHEMBL13638254 0.81 FAAH (0.36) FAAHPTGS2LPAR1LPAR5
SCHEMBL13638403 0.79 LPAR1 (0.40) LPAR1LPAR5
SCHEMBL13638171 0.73 RARB (0.39) LPAR1LPAR5AGTR2
SCHEMBL13632815 0.72 LPAR1 (0.40) FAAHLPAR1LPAR5
SCHEMBL14252000 0.72 LPAR1 (0.41) LPAR1LPAR5
SCHEMBL4493480 0.71 F2 (0.39) FAAHLPAR1LPAR5
SCHEMBL13638404 0.70 MAPT (0.38) AGTR2

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-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 FAAH 997/4885PTGS2 2803/4885CNR1 30/4885

“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.