SCHEMBL4514738

SCHEMBL4514738

COC(=O)C(C)(C)Oc1ccc2c(c1)CCNC2=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP11 Q9NR21 10/20 0.49
▸ PARP10 Q53GL7 10/20 0.49
▸ GRM5 P41594 5/20 0.46
▸ PRKACA P17612 1/20 0.44
▸ PRKACG P22612 1/20 0.44
▸ PRKACB P22694 1/20 0.44
▸ GSK3B P49841 1/20 0.41
▸ PARP1 P09874 2/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39

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
SCHEMBL4518538 0.90 PARP10 (0.49) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL22693586 0.83 PARP10 (0.58) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL379341 0.78 GRM5 (0.67) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL8323443 0.78 GRM5 (0.67) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL16346860 0.77 PARP10 (0.54) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL4519555 0.77 PNMT (0.46) —
SCHEMBL4514434 0.77 ASIC3 (0.41) —
SCHEMBL29175231 0.75 PARP10 (0.52) PARP11PARP10GRM5PARP1PDPK1
SCHEMBL30336933 0.73 PRKACA (0.58) PARP11PARP10GRM5PRKACAPRKACG
SCHEMBL29261554 0.73 PARP10 (0.53) PARP11PARP10GRM5GSK3BPARP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 — — US disclosed
US-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators IRM LLC (BM) 2009-01-08 — — US disclosed
EP-1979347-A2 POLYCYCLIC 1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2008-10-15 — — EP disclosed
WO-2007089557-A2 POLYCYCLIC 1, 2, 3, 4 -TETRAHYDRO- ISOQUINOLINE DERIVATIVES AND COMPOSITIONS COMPRISING THEM AS PPAR MODULATORS IRM LLC (BM) 2007-08-09 — — 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-20090012097-A1 Polycyclic 1,2,3,4-Tetrahydro-Isoquinoline Derivatives and Compositions Comprising Them As Ppar Modulators PPARG, PPARD, PPARA PARP11 755/4885PARP10 1004/4885GRM5 344/4885

“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.

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