SCHEMBL1997496

SCHEMBL1997496

CCOC(=O)C(=Cc1ccc2c(c1)CN(c1ccccn1)CCO2)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.38
ATM Q13315 2/20 0.38
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
KDM4E B2RXH2 5/20 0.38
HTT P42858 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
MAPT P10636 3/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL1997491 0.86 GPR142 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1990025 0.77 CHRM4 (0.40) MEN1KMT2AALDH1A1ATMGRIN2D
SCHEMBL1989631 0.77 GRIN2D (0.46) MEN1KMT2AALDH1A1GRIN2DGRIN3B
SCHEMBL4566910 0.77 GRIN2D (0.39) ALDH1A1ATMGRIN2DGRIN3BGRIN1
SCHEMBL1990022 0.72 HSD17B10 (0.40) MEN1KMT2AALDH1A1GRIN2DGRIN3B
Fumaric Acid SCHEMBL1988836 0.70 GSK3B (0.46) MEN1KMT2AALDH1A1KDM4EHTT
Maleic Acid SCHEMBL1988834 0.70 GSK3B (0.46) MEN1KMT2AALDH1A1KDM4EHTT
Maleic Acid SCHEMBL1988832 0.70 GSK3B (0.46) MEN1KMT2AALDH1A1KDM4EHTT
SCHEMBL4566908 0.70 GPR142 (0.40) ALDH1A1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL1990957 0.69 GSK3B (0.52) MEN1KMT2ANPC1RAB9APIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263587-B2 Benzoxazepine compounds, their preparation and use PIRAMAL HEALTHCARE LIMITED (IN) 2012-09-11 US disclosed
EP-2077846-B1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-12 EP disclosed
US-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Enterprises Limited (IN) 2011-06-23 US disclosed
EP-2077846-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE Piramal Life Sciences Limited (IN) 2009-07-15 EP disclosed
WO-2008053446-A2 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LIMITED (IN) 2008-05-08 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-20110152247-A1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE GPR119, INSR, SLC5A1 MEN1 2065/4885KMT2A 2764/4885ALDH1A1 2425/4885

“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.