SCHEMBL4072857

SCHEMBL4072857

Cc1cc(C#N)ccc1-c1ccc(CN(CCC(C)C)C(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 1/20 0.36
CETP P11597 1/20 0.35
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM1A O60341 1/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
EGLN1 Q9GZT9 6/20 0.32
FFAR1 O14842 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 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
SCHEMBL4080067 0.85 AKR1C3 (0.34) AKR1C3AKR1C2AAK1
SCHEMBL4078315 0.82 CETP (0.38) CETPEGLN1CYP11B1CYP11B2
SCHEMBL4074478 0.82 HRH2 (0.34) CETPAKR1C3AKR1C2AAK1HRH2
SCHEMBL4080063 0.76 AAK1 (0.43) AAK1NPSR1
SCHEMBL4073264 0.73 PTGDR2 (0.38)
SCHEMBL4257993 0.72 GRM2 (0.36) CETPAAK1CD274
SCHEMBL5912934 0.71 HTT (0.45) HTTNPSR1
SCHEMBL4072874 0.70 LPAR1 (0.41) AAK1
SCHEMBL4079294 0.69 SMN1; SMN2 (0.38) CETPAKR1C3AKR1C2NPSR1
SCHEMBL21867524 0.69 SSTR4 (0.46) CETP

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
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
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 EIF4E 3493/4885CETP 3924/4885AKR1C3 1566/4885

“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.