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SCHEMBL2581911

SCHEMBL2581911

CC(C)(C)SCc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 4/20 0.35
▸ ESR2 Q92731 4/20 0.35
▸ P2RX3 P56373 2/20 0.32
▸ P2RX2 Q9UBL9 2/20 0.32
▸ ACKR3 P25106 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ ENPP2 Q13822 1/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL2369925 0.87 ESR1 (0.35) ESR1ESR2ACKR3HTR1AENPP2
SCHEMBL2584423 0.84 ESR1 (0.36) ESR1ESR2ACKR3HTR1AENPP2
SCHEMBL2588786 0.82 ESR1 (0.35) ESR1ESR2P2RX3P2RX2ACKR3
SCHEMBL2578404 0.81 ESR1 (0.33) ESR1ESR2HTR1AENPP2MAPK1
SCHEMBL2586652 0.81 ESR1 (0.34) ESR1ESR2ACKR3ENPP2MAPK1
SCHEMBL2575837 0.81 SCN9A (0.34) ESR1ESR2P2RX3P2RX2ENPP2
SCHEMBL506555 0.81 ESR1 (0.39) ESR1ESR2ACKR3HTR1A
SCHEMBL507153 0.80 ESR1 (0.41) ESR1ESR2ACKR3
SCHEMBL506344 0.80 ESR1 (0.44) ESR1ESR2ACKR3MAPK1
SCHEMBL2578263 0.80 HTR2B (0.36) P2RX3P2RX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 — — US disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 — — EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 — — US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 — — US disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 — — EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 — — 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A ESR1 323/4885ESR2 261/4885P2RX3 241/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ESR1 323/4885ESR2 261/4885P2RX3 241/4885

“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.