SCHEMBL507529

SCHEMBL507529

O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc(CCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.68
MAPK14 Q16539 1/20 0.64
EPHX2 P34913 6/20 0.60
PPARG P37231 2/20 0.60
PPARA Q07869 1/20 0.60
MLYCD O95822 2/20 0.57
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
KMT2A Q03164 1/20 0.56
KDM1A O60341 2/20 0.55
HDAC1 Q13547 2/20 0.55
MAOA P21397 1/20 0.54
NAMPT P43490 1/20 0.54
PTGER4 P35408 1/20 0.54
NR1H4 Q96RI1 3/20 0.54

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
SCHEMBL506527 0.90 MLYCD (0.72) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL20477571 0.88 MEN1 (0.73) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL4497840 0.86 LSS (0.69) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL6572354 0.86 HDAC6 (0.72) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL3455877 0.86 LSS (0.69) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL20477562 0.86 L3MBTL1 (0.69) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL3158764 0.84 EPHX2 (0.73) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL13947580 0.84 LSS (0.72) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL11979758 0.84 MAPK14 (0.76) LSSMAPK14EPHX2PPARGPPARA
SCHEMBL2634030 0.84 MAPK14 (0.76) LSSMAPK14EPHX2PPARGPPARA

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-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

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 LSS 3518/4885MAPK14 1623/4885EPHX2 1833/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A LSS 3577/4885MAPK14 1929/4885EPHX2 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.