SCHEMBL4074478

SCHEMBL4074478

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.34
HRH1 P35367 1/20 0.34
ABCB1 P08183 7/20 0.34
AAK1 Q2M2I8 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
CETP P11597 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
SSTR4 P31391 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TRPA1 O75762 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
APP P05067 1/20 0.32

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
SCHEMBL4486715 0.84 SSTR4 (0.33) AAK1GPR119SSTR4AKR1C3AKR1C2
SCHEMBL4078315 0.84 CETP (0.38) CETPCYP11B1CYP11B2SLC22A12
SCHEMBL4072857 0.82 EIF4E (0.36) HRH2HRH1AAK1CETPAKR1C3
SCHEMBL4073264 0.78 PTGDR2 (0.38)
SCHEMBL4075808 0.76 SSTR4 (0.42) AAK1SSTR4
SCHEMBL4257993 0.71 GRM2 (0.36) AAK1CETPSSTR4
SCHEMBL4072874 0.70 LPAR1 (0.41) AAK1GPR119
SCHEMBL11947088 0.69 LPAR1 (0.44) AAK1GPR119SSTR4TRPA1SLC22A12
SCHEMBL4079294 0.69 SMN1; SMN2 (0.38) CETPAKR1C3AKR1C2
SCHEMBL4488726 0.67 F2 (0.41) SSTR4SLC22A12

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 HRH2 120/4885HRH1 125/4885ABCB1 1903/4885

“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.