SCHEMBL506498

SCHEMBL506498

CN(Cc1ccc(Oc2ccccc2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.52
CTSL P07711 2/20 0.49
CTSB P07858 2/20 0.49
CTSS P25774 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPY5R Q15761 1/20 0.47
LTA4H P09960 3/20 0.46
MMP13 P45452 2/20 0.46
NR3C1 P04150 1/20 0.45
PPARG P37231 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7797088 0.89 AKT1 (0.63) AKT1CTSLCTSBCTSSPPARG
SCHEMBL13886599 0.77 EPHX2 (0.59) LTA4HMMP13PPARG
SCHEMBL4616649 0.76 MAPK14 (0.53) MMP13PPARGSMN1; SMN2
SCHEMBL29131712 0.74 HPGD (0.71) MEN1KMT2ANPY5RSMN1; SMN2
SCHEMBL3923929 0.74 ACE (0.65) CTSLCTSBCTSSMMP13PPARG
SCHEMBL2290444 0.74 ACE (0.65) CTSLCTSBCTSSMMP13PPARG
SCHEMBL3923937 0.74 ACE (0.65) CTSLCTSBCTSSMMP13PPARG
SCHEMBL3925152 0.74 ACE (0.65) CTSLCTSBCTSSMMP13PPARG
SCHEMBL3041118 0.73 HDAC3 (0.47) MEN1KMT2A
SCHEMBL2291516 0.73 ATM (0.59) CTSLCTSBCTSSMMP13

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
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 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 (2 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 AKT1 2327/4885CTSL 4275/4885CTSB 4037/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A AKT1 1502/4885CTSL 4042/4885CTSB 3670/4885

“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.