SCHEMBL4257993

SCHEMBL4257993

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
F7 P08709 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
CETP P11597 1/20 0.35
SSTR4 P31391 1/20 0.33
ADRB3 P13945 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
RARB P10826 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
MMP2 P08253 5/20 0.32
MMP3 P08254 2/20 0.32
MMP9 P14780 2/20 0.32
MMP13 P45452 2/20 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
SCHEMBL4079294 0.86 SMN1; SMN2 (0.38) CETPMMP2MMP9MMP13MMP1
SCHEMBL4072874 0.86 LPAR1 (0.41) GRM2LPAR1LPAR5F2F10
SCHEMBL4071563 0.85 RORC (0.38)
SCHEMBL4488726 0.84 F2 (0.41) GRM2LPAR1LPAR5F2F10
SCHEMBL13638171 0.83 RARB (0.39) LPAR1LPAR5RARB
SCHEMBL4078315 0.81 CETP (0.38) LPAR1LPAR5HDAC1HDAC3HDAC2
SCHEMBL4071560 0.81 SSTR4 (0.41) LPAR1LPAR5F2F10F7
SCHEMBL4480569 0.79 LPAR1 (0.37) LPAR1LPAR5F2F10F7
SCHEMBL4480567 0.79 LPAR1 (0.37) LPAR1LPAR5F2F10F7
SCHEMBL3942691 0.76 HDAC1 (0.43) LPAR1LPAR5HDAC1HDAC3HDAC2

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 GRM2 381/4885LPAR1 1517/4885LPAR5 1925/4885

“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.