SCHEMBL12789743

SCHEMBL12789743

CC[C@@H](Cc1ccccc1)n1c(C)nc2ccc(N(C)c3ccc(F)cc3)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ POLB P06746 2/20 0.39
▸ IDO1 P14902 2/20 0.38
▸ TDO2 P48775 2/20 0.38
▸ IDO2 Q6ZQW0 2/20 0.38
▸ DHFR P00374 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CASR P41180 2/20 0.35
▸ GRIA2 P42262 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL12789709 1.00 MEN1 (0.41) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL12788940 0.95 POLB (0.41) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12789639 0.91 POLB (0.44) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12789111 0.90 POLB (0.36) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12789110 0.90 POLB (0.36) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12789056 0.90 POLB (0.37) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12788982 0.90 POLB (0.37) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12788804 0.86 POLB (0.39) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12788704 0.85 POLB (0.42) MEN1KMT2APOLBIDO1TDO2
SCHEMBL12789719 0.84 KMT2A (0.41) MEN1KMT2AMAPTNPSR1IDO1

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 MEN1 3069/4885KMT2A 3444/4885MAPT 4788/4885

“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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