SCHEMBL12789722

SCHEMBL12789722

CC[C@H](Cc1ccccc1)n1c(C)nc2ccc(NC)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.45
▸ KMT2A Q03164 6/20 0.45
▸ MAPT P10636 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 3/20 0.43
▸ HSD17B10 Q99714 3/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ GAA P10253 2/20 0.38
▸ DHFR P00374 3/20 0.37
▸ POLB P06746 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12847389 0.88 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL13564427 0.85 KMT2A (0.47) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL12789710 0.84 KMT2A (0.49) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL12788455 0.79 KDM4E (0.42) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL12789713 0.79 KMT2A (0.40) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL12789754 0.78 CYP2D6 (0.47) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL12789762 0.78 CYP2D6 (0.47) MEN1KMT2AMAPTNPSR1POLB
SCHEMBL12789709 0.77 MEN1 (0.41) MEN1KMT2AMAPTNPSR1KDM4E
SCHEMBL12789719 0.77 KMT2A (0.41) MEN1KMT2AMAPTNPSR1ALDH1A1
SCHEMBL12789743 0.77 MEN1 (0.41) MEN1KMT2AMAPTNPSR1KDM4E

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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