SCHEMBL3014389

SCHEMBL3014389

CC(C)C[C@H](N)c1ccccc1N1CCCCC1.Cc1ccc(C(=O)O[C@H](C(=O)O)[C@H](OC(=O)c2ccc(C)cc2)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 11/20 0.45
▸ PKM P14618 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAPT P10636 1/20 0.41
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ MC5R P33032 1/20 0.39
▸ MC3R P41968 1/20 0.39
▸ MC1R Q01726 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL2344486 0.94 MC4R (0.48) MC4RMEN1KMT2ATP53TSHR
SCHEMBL3408856 0.94 MC4R (0.48) MC4RMEN1KMT2ATP53TSHR
SCHEMBL3014397 0.82 MC4R (0.40) MC4RMEN1KMT2AMAPTPOLB
SCHEMBL3633209 0.80 MEN1 (0.43) PKMAPEX1CYP2C19BLMHSD17B10
SCHEMBL3636883 0.79 MEN1 (0.51) PKMAPEX1CYP2C19BLMHSD17B10
SCHEMBL442668 0.78 MC4R (0.54) MC4RCYP3A4
SCHEMBL17871701 0.78 MC4R (0.54) MC4RCYP3A4
SCHEMBL1964089 0.78 MC4R (0.54) MC4RCYP3A4
SCHEMBL31388217 0.78 MC4R (0.54) MC4RCYP3A4
SCHEMBL31128130 0.78 MC4R (0.54) MC4RCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197732-A1 Repaglinide Substantially Free of Dimer Impurity ACTAVIS GROUP PTC EHF (IS) 2010-08-05 — — US disclosed
EP-2155706-A2 REPAGLINIDE SUBSTANTIALLY FREE OF DIMER IMPURITY Actavis Group PTC EHF (IS) 2010-02-24 — — EP disclosed
WO-2009004485-A2 REPAGLINIDE SUBSTANTIALLY FREE OF DIMER IMPURITY ACTAVIS GROUP PTC EHF (IS) 2009-01-08 — — 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-20100197732-A1 Repaglinide Substantially Free of Dimer Impurity EMG1, DAP3, DRD4 MC4R 1094/4885PKM 3315/4885APEX1 1616/4885

“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.

Send feedback