SCHEMBL4072874

SCHEMBL4072874

Cc1cc(C(N)=O)ccc1-c1ccc(CN(CCC(C)C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.41
LPAR5 Q9H1C0 2/20 0.41
F2 P00734 2/20 0.38
F10 P00742 2/20 0.38
F7 P08709 2/20 0.38
HDAC3 O15379 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
NCOR2 Q9Y618 2/20 0.38
RARB P10826 1/20 0.38
GRM2 Q14416 1/20 0.37
OXTR P30559 2/20 0.37
AVPR1A P37288 2/20 0.37
RORC P51449 2/20 0.36
HTR1D P28221 1/20 0.35
AAK1 Q2M2I8 1/20 0.33
KLK1 P06870 1/20 0.32
GPR119 Q8TDV5 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
SCHEMBL4488726 0.92 F2 (0.41) LPAR1LPAR5F2F10F7
SCHEMBL4080067 0.86 AKR1C3 (0.34) LPAR1LPAR5F2F10F7
SCHEMBL4257993 0.86 GRM2 (0.36) LPAR1LPAR5F2F10F7
SCHEMBL4486715 0.86 SSTR4 (0.33) LPAR1LPAR5F2F10F7
SCHEMBL4480567 0.85 LPAR1 (0.37) LPAR1LPAR5F2F10F7
SCHEMBL4480569 0.85 LPAR1 (0.37) LPAR1LPAR5F2F10F7
SCHEMBL13638168 0.84 RARB (0.44) LPAR1LPAR5F2F10F7
SCHEMBL4079294 0.81 SMN1; SMN2 (0.38)
SCHEMBL4071563 0.79 RORC (0.38) RORCGPR119
SCHEMBL4493480 0.79 F2 (0.39) LPAR1LPAR5F2F10F7

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 LPAR1 1517/4885LPAR5 1925/4885F2 2963/4885

“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.