SCHEMBL507318

SCHEMBL507318

NCc1ccc(OCCC2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.71
HRH3 Q9Y5N1 2/20 0.55
HPGD P15428 7/20 0.51
GRM2 Q14416 1/20 0.51
LTA4H P09960 1/20 0.49
KEAP1 Q14145 1/20 0.47
MCHR1 Q99705 1/20 0.45

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
SCHEMBL8274997 0.83 NFE2L2 (0.66) NFE2L2HRH3HPGDGRM2LTA4H
SCHEMBL20958147 0.83 NFE2L2 (1.00) NFE2L2HRH3HPGDGRM2LTA4H
SCHEMBL506275 0.83 PARP10 (0.59) HPGDGRM2
SCHEMBL8276935 0.81 NFE2L2 (0.63) NFE2L2HRH3HPGDGRM2LTA4H
Hydrochloric Acid SCHEMBL7221109 0.81 PARP10 (0.58) HPGDGRM2
SCHEMBL14549598 0.81 NFE2L2 (0.96) NFE2L2HRH3HPGDGRM2LTA4H
SCHEMBL8276090 0.81 NFE2L2 (0.62) NFE2L2HRH3HPGDGRM2LTA4H
SCHEMBL23163613 0.79 NFE2L2 (0.70) NFE2L2HRH3HPGDGRM2LTA4H
SCHEMBL35212115 0.79 NFE2L2 (0.70) NFE2L2HRH3HPGDGRM2
SCHEMBL30674531 0.79 NFE2L2 (0.70) NFE2L2HRH3HPGDGRM2

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 4 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

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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A NFE2L2 2522/4885HRH3 316/4885HPGD 3744/4885

“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.