SCHEMBL12789495

SCHEMBL12789495

CCCC(c1ccccc1)n1c(C)nc2ccc(N(C)c3ccc(F)cc3)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.39
▸ TDO2 P48775 3/20 0.38
▸ IDO2 Q6ZQW0 3/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CYP2D6 P10635 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ CXCR3 P49682 2/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL12789455 0.92 POLB (0.40) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12789456 0.92 POLB (0.40) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12789454 0.92 POLB (0.40) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12789062 0.90 POLB (0.38) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12788941 0.90 CASR (0.38) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12788998 0.89 POLB (0.39) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12846926 0.89 POLB (0.39) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12788804 0.88 POLB (0.39) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12789040 0.88 POLB (0.39) POLBTDO2IDO2IDO1L3MBTL1
SCHEMBL12788979 0.88 POLB (0.37) POLBTDO2IDO2IDO1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS MERCK SHARP & DOHME CORP. 2011-03-17 — — US 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-20110065671-A1 BICYCLIC HETEROCYCLE DERIVATIVES AND USE THEREOF AS GPR119 MODULATORS GPR119, GPR39, GPR65 POLB 4577/4885TDO2 2425/4885IDO2 1839/4885

“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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