SCHEMBL3606996

SCHEMBL3606996

CCOC(=O)c1ccccc1N1CN2C(C(=O)OC(C)(C)C)CNCC2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 2/20 0.39
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
TSHR P16473 1/20 0.37
HTR1A P08908 1/20 0.35
OPRM1 P35372 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
USP2 O75604 1/20 0.35
TNNI3 P19429 1/20 0.35
CASP1 P29466 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
SCHEMBL3597655 0.86 CASP1 (0.40) ALDH1A1GAATSHRL3MBTL1CASP1
SCHEMBL3604176 0.83 ALDH1A1 (0.42) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL3606704 0.82 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1HSD17B10MAPT
SCHEMBL3612531 0.81 ATM (0.47) KMT2AMEN1ALDH1A1SMN1; SMN2MAPK1
SCHEMBL3610030 0.81 MAPK1 (0.32) KMT2AMEN1MAPTSMN1; SMN2MAPK1
SCHEMBL3599630 0.81 OPRM1 (0.35) OPRM1
SCHEMBL3604816 0.80 GPR119 (0.36) KDM4E
SCHEMBL3609872 0.78 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1GAASMN1; SMN2
SCHEMBL3610736 0.77 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
Bromide SCHEMBL3602839 0.75 MAPT (0.42) KMT2AMEN1ALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004249-A1 Bicyclic heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2039695-A1 BICYCLIC HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-03-25 EP 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-20100004249-A1 Bicyclic heterocyclic compound and use thereof HTR2C, HTR5A, HTR2A KMT2A 967/4885MEN1 1716/4885ALDH1A1 1162/4885

“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.