SCHEMBL4486715

SCHEMBL4486715

Cc1cc(C(N)=O)ccc1-c1cc(F)c(CN(CCC(C)C)C(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
OPRM1 P35372 4/20 0.33
OPRD1 P41143 4/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
GRM2 Q14416 1/20 0.33
APP P05067 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
ROCK2 O75116 3/20 0.31
ROCK1 Q13464 3/20 0.31
F2 P00734 2/20 0.31
F10 P00742 2/20 0.31
F7 P08709 2/20 0.31
SLC22A12 Q96S37 1/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL4072874 0.86 LPAR1 (0.41) LPAR1LPAR5GRM2GPR119F2
SCHEMBL4074478 0.84 HRH2 (0.34) SSTR4AKR1C3AKR1C2APPGPR119
SCHEMBL4488726 0.84 F2 (0.41) SSTR4LPAR1LPAR5GRM2F2
SCHEMBL4080067 0.82 AKR1C3 (0.34) AKR1C3AKR1C2LPAR1LPAR5GRM2
SCHEMBL4493480 0.77 F2 (0.39) AKR1C3AKR1C2LPAR1LPAR5GRM2
SCHEMBL4075808 0.77 SSTR4 (0.42) SSTR4LPAR1LPAR5AAK1
SCHEMBL4257993 0.74 GRM2 (0.36) SSTR4LPAR1LPAR5GRM2F2
SCHEMBL4078534 0.73 OPRM1 (0.41) AKR1C3AKR1C2OPRM1OPRD1ROCK2
Hydrochloric Acid SCHEMBL4074231 0.72 OPRM1 (0.41) AKR1C3AKR1C2OPRM1OPRD1ROCK2
SCHEMBL4480569 0.71 LPAR1 (0.37) LPAR1LPAR5GPR119F2F10

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 7 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
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
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 SSTR4 1897/4885AKR1C3 1566/4885AKR1C2 2805/4885

“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.