SCHEMBL6137895

SCHEMBL6137895

COc1ccc2c(c1)NC(=O)C(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.43
MTNR1A P48039 3/20 0.41
MTNR1B P49286 2/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
ACHE P22303 2/20 0.39
SRC P12931 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
DRD4 P21917 1/20 0.38
DPP4 P27487 1/20 0.37
NQO2 P16083 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
SCHEMBL6200356 1.00 CASP1 (0.43) CASP1MTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL6200359 1.00 CASP1 (0.43) CASP1MTNR1AMTNR1BALDH1A1CYP3A4
SCHEMBL6196793 0.86 ESR2 (0.40) CASP1CYP3A4MAPK1CA1CA2
SCHEMBL6196789 0.86 ESR2 (0.40) CASP1CYP3A4MAPK1CA1CA2
SCHEMBL6196790 0.86 ESR2 (0.40) CASP1CYP3A4MAPK1CA1CA2
SCHEMBL4623734 0.84 SIRT1 (0.46) MTNR1AMTNR1BALDH1A1CYP3A4THRB
SCHEMBL6197391 0.84 ALOX15 (0.42) MTNR1AMTNR1BALDH1A1DPP4NQO2
SCHEMBL6197384 0.84 ALOX15 (0.42) MTNR1AMTNR1BALDH1A1DPP4NQO2
SCHEMBL6197387 0.84 ALOX15 (0.42) MTNR1AMTNR1BALDH1A1DPP4NQO2
SCHEMBL6243498 0.81 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BIOPORT R&D, INC. 2005-10-20 US disclosed
EP-1392317-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-10-19 EP disclosed
EP-1229913-A4 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA INC (US) 2005-01-19 EP disclosed
EP-1392317-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2004-03-03 EP disclosed
US-6514965-B1 For treating bacterial infections ANTEX PHARMA INC. 2003-02-04 US disclosed
WO-2002100327-A2 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2002-12-19 WO disclosed
EP-1229913-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF Antexpharma, Inc. (US) 2002-08-14 EP disclosed
WO-2001035964-A1 SUBSTITUTED 1-BENZAZEPINES AND DERIVATIVES THEREOF ANTEXPHARMA, INC. (US) 2001-05-25 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-20050234041-A1 Substituted 1-benzazepines and derivatives thereof BAK1, BAD, BAX CASP1 8/4885MTNR1A 2087/4885MTNR1B 1546/4885

“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.