SCHEMBL1997491

SCHEMBL1997491

COC(=O)C(=Cc1ccc2c(c1)CN(c1ccccn1)CCO2)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.40
CREBBP Q92793 3/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
ALDH1A1 P00352 1/20 0.38
BACE1 P56817 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 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
SCHEMBL1997496 0.86 MEN1 (0.40) HSD17B10KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL1989631 0.81 GRIN2D (0.46) GPR142CREBBPHSD17B10KDM4EGRIN2D
SCHEMBL4566908 0.78 GPR142 (0.40) GPR142CREBBPCYP3A4CYP2D6HSD17B10
SCHEMBL1990022 0.76 HSD17B10 (0.40) GPR142CREBBPCYP3A4CYP2D6HSD17B10
SCHEMBL1990956 0.73 GSK3B (0.52)
SCHEMBL1990957 0.73 GSK3B (0.52)
SCHEMBL6125959 0.72 GRIN2D (0.60) CYP3A4CYP2D6HSD17B10TSHRCYP2C19
Fumaric Acid SCHEMBL1988836 0.72 GSK3B (0.46) CYP3A4CYP2C19KDM4EALDH1A1
Maleic Acid SCHEMBL1988834 0.72 GSK3B (0.46) CYP3A4CYP2C19KDM4EALDH1A1
Maleic Acid SCHEMBL1988832 0.72 GSK3B (0.46) CYP3A4CYP2C19KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2077846-B1 BENZOXAZEPINE COMPOUNDS, THEIR PREPARATION AND USE PIRAMAL LIFE SCIENCES LTD (IN) 2011-10-12 EP claimed
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 GPR142 850/4885CREBBP 439/4885CYP3A4 56/4885

“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.