SCHEMBL2585280

SCHEMBL2585280

CC(C)(C)CNC(=O)COc1ccc(CNc2c(Cl)ccc3c2CCC(C(=O)C(F)(F)F)NC3)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.33
PTGES O14684 2/20 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
SCHEMBL2584844 0.81 SCN9A (0.33) SCN9APTGES
SCHEMBL2575837 0.80 SCN9A (0.34) SCN9A
SCHEMBL2369602 0.79 BLM (0.39)
Cadaverine Tartrate SCHEMBL13685410 0.77 MLNR (0.31) SCN9A
SCHEMBL4663249 0.75 SCN9A (0.33) SCN9APTGES
SCHEMBL4663242 0.74 SMN1; SMN2 (0.33) SCN9A
SCHEMBL13685575 0.73 ENPP2 (0.32) SCN9A
SCHEMBL2575840 0.69 HTR2A (0.34) SCN9A
SCHEMBL2588786 0.69 ESR1 (0.35) SCN9A
SCHEMBL507775 0.66 HTR2A (0.36)

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 2 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SCN9A 1207/4885PTGES 2172/4885

“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.