SCHEMBL4518538

SCHEMBL4518538

COC(=O)C(C)(C)Oc1ccc2c(c1)C(=O)NCC2

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 9/20 0.49
▸ PARP1 P09874 6/20 0.49
▸ F7 P08709 1/20 0.46
▸ F3 P13726 1/20 0.46
▸ MAPKAPK2 P49137 2/20 0.41
▸ PARP11 Q9NR21 4/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ RYR2 Q92736 1/20 0.38
▸ PRKACA P17612 1/20 0.38
▸ PRKACG P22612 1/20 0.38
▸ PRKACB P22694 1/20 0.38
▸ DRD2 P14416 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ BACE1 P56817 1/20 0.35

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
SCHEMBL4514738 0.90 PARP11 (0.49) PARP10PARP1PARP11PDPK1GRM5
SCHEMBL246378 0.78 PARP10 (0.63) PARP10PARP1F7F3MAPKAPK2
SCHEMBL29438649 0.78 PARP10 (0.63) PARP10PARP1F7F3MAPKAPK2
SCHEMBL793249 0.77 PARP10 (0.61) PARP10PARP1F7F3MAPKAPK2
SCHEMBL4514434 0.77 ASIC3 (0.41) DRD2
SCHEMBL4519555 0.77 PNMT (0.46) —
SCHEMBL14395236 0.73 PARP10 (0.56) PARP10PARP1F7F3MAPKAPK2
SCHEMBL28724678 0.73 PARP10 (0.53) PARP10PARP1F7F3MAPKAPK2
SCHEMBL30947279 0.72 PARP10 (0.58) PARP10PARP1F7F3MAPKAPK2
SCHEMBL22693586 0.72 PARP10 (0.58) PARP10PARP1PARP11PDPK1GRM5

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 5 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
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 PARP10 1004/4885PARP1 431/4885F7 4844/4885

“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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