SCHEMBL507136

SCHEMBL507136

CS(=O)(=O)OC(c1ccccn1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
TSHR P16473 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP3A4 P08684 2/20 0.38
ABCB11 O95342 1/20 0.38
LMNA P02545 1/20 0.38
ESR1 P03372 1/20 0.38
ADRA2A P08913 1/20 0.38
CYP2C9 P11712 1/20 0.38
PDE4A P27815 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRK1 P41145 1/20 0.38
STAT6 P42226 1/20 0.38
HIF1A Q16665 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 2/20 0.35

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
SCHEMBL26981255 0.84 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL27131911 0.84 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL18271132 0.78 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL12281478 0.78 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL506978 0.77 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL1193499 0.77 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL1307914 0.77 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL20594112 0.76 IRAK4 (0.36)
SCHEMBL21742212 0.75 TSHR (0.48) SLC6A3SLC6A2SLC6A4TSHRKDM4E
SCHEMBL7859424 0.75 NPSR1 (0.41) CYP3A4ALDH1A1NPSR1GAA

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 9 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
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-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 SLC6A3 242/4885SLC6A2 259/4885SLC6A4 99/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SLC6A3 129/4885SLC6A2 223/4885SLC6A4 42/4885

“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.