SCHEMBL506706

SCHEMBL506706

CC(C)(C)OC(=O)NCc1ccc(Oc2ccccc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.44
MMP13 P45452 1/20 0.43
EPHX2 P34913 2/20 0.42
SCN9A Q15858 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KCNA5 P22460 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
RIPK1 Q13546 1/20 0.40
PTPN1 P18031 1/20 0.40
HDAC1 Q13547 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL10227601 0.83 BDKRB1 (0.50) RAB9ANPC1HPGDCRHBPCRHR2
SCHEMBL27672276 0.83 MEN1 (0.45) EPHX2RAB9ANPC1HPGDCRHBP
SCHEMBL12049350 0.82 ELANE (0.44) KDM4AEPHX2NR1H4HPGDKCNA5
SCHEMBL7091639 0.82 KDM4A (0.40) KDM4AEPHX2NR1H4RAB9ANPC1
SCHEMBL27637897 0.81 EPHX2 (0.40) KDM4AEPHX2NR1H4HPGDKCNA5
SCHEMBL14951118 0.81 RAD51 (0.49) KDM4ARAB9APKMMAPK1MEN1
SCHEMBL12791296 0.80 P2RX7 (0.46) KDM4AEPHX2NR1H4KCNA5RIPK1
SCHEMBL4590703 0.80 RIPK1 (0.60) KDM4ARAB9AHPGDKCNA5CTSS
SCHEMBL1495902 0.80 EPHX2 (0.64) KDM4AEPHX2NR1H4RAB9AKCNA5
SCHEMBL7097438 0.80 ALDH1A1 (0.43) KDM4AEPHX2NR1H4PTPN1HDAC1

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 KDM4A 1569/4885MMP13 2573/4885EPHX2 1833/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A KDM4A 732/4885MMP13 3018/4885EPHX2 1418/4885

“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.