SCHEMBL4073264

SCHEMBL4073264

CC(C)CCN(Cc1ccc(-c2cccc(C#N)c2)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
PTGES O14684 1/20 0.37
MMP12 P39900 1/20 0.37
MMP13 P45452 1/20 0.37
MCHR1 Q99705 8/20 0.37
HRH3 Q9Y5N1 3/20 0.36
LPAR1 Q92633 1/20 0.35
LPAR5 Q9H1C0 1/20 0.35
RORC P51449 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
PDE4D Q08499 1/20 0.34
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 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
SCHEMBL13638283 0.86 FAAH (0.39) PTGDR2MMP12MMP13MCHR1HRH3
SCHEMBL4493480 0.85 F2 (0.39) LPAR1LPAR5
SCHEMBL4078315 0.81 CETP (0.38) PTGESLPAR1LPAR5
SCHEMBL13633129 0.80 LPAR1 (0.34) LPAR1LPAR5
SCHEMBL4074478 0.78 HRH2 (0.34)
SCHEMBL4081699 0.77 SSTR4 (0.45) LPAR1LPAR5
SCHEMBL14217477 0.76 AKR1C3 (0.42) LPAR1LPAR5
SCHEMBL11947088 0.73 LPAR1 (0.44) PTGESLPAR1LPAR5
SCHEMBL4072857 0.73 EIF4E (0.36)
SCHEMBL2773661 0.72 PTGES (0.44) PTGESSLC6A2SLC6A4SLC6A3CTSS

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
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
EP-2084127-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-08-05 EP disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
WO-2008059335-A1 DIARYL, DIPYRIDINYL AND ARYL-PYRIDINYL DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-05-22 WO 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 PTGDR2 137/4885PTGES 1873/4885MMP12 4175/4885

“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.