SCHEMBL4021777

SCHEMBL4021777

CC(C)(C)OC(=O)N(CCC1CC1)Cc1ccc(Oc2ccc(C(N)=O)c(O)c2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 10/20 0.44
LPAR5 Q9H1C0 10/20 0.44
OPRK1 P41145 5/20 0.37
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
ROCK2 O75116 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 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
SCHEMBL13632817 0.88 LPAR1 (0.42) LPAR1LPAR5OPRK1OPRM1OPRD1
SCHEMBL4364207 0.87 LPAR1 (0.43) LPAR1LPAR5OPRK1OPRM1OPRD1
SCHEMBL4015362 0.78 LPAR1 (0.43) LPAR1LPAR5
SCHEMBL4017274 0.77 PPARD (0.39) LPAR1LPAR5OPRK1OPRM1OPRD1
SCHEMBL4017318 0.77 LPAR1 (0.37) LPAR1LPAR5PARP15PARP10
SCHEMBL13633128 0.74 LPAR1 (0.42) LPAR1LPAR5LMNAHTT
SCHEMBL4014189 0.70 ROCK2 (0.40) OPRK1OPRM1OPRD1ROCK2LMNA
SCHEMBL3701082 0.70 LPAR1 (0.47) LPAR1LPAR5PARP15PARP10
SCHEMBL13622917 0.69 MAOB (0.44) LPAR1LPAR5HTT
SCHEMBL30875454 0.69 MCHR1 (0.45) LPAR1LPAR5

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-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
US-7618996-B2 Diaryl ether derivatives and uses thereof PFIZER INC. (US) 2009-11-17 US disclosed
EP-2064199-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF Pfizer Products Inc. (US) 2009-06-03 EP disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
WO-2008032156-A1 DIARYL ETHER DERIVATIVES AND USES THEREOF PFIZER PRODUCTS INC. (US) 2008-03-20 WO disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 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-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 LPAR1 644/4885LPAR5 1129/4885OPRK1 2/4885

“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.