SCHEMBL506316

SCHEMBL506316

NC(c1ccccc1)N1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.61
CYP1A2 P05177 5/20 0.61
CYP3A4 P08684 5/20 0.61
CYP2C19 P33261 5/20 0.61
CYP2C9 P11712 4/20 0.61
KCNA5 P22460 4/20 0.61
KCNH2 Q12809 4/20 0.61
KCNE1 P15382 1/20 0.59
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
DPP4 P27487 2/20 0.44
F2 P00734 1/20 0.44
MAOB P27338 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1239686 0.81 KCNA5 (0.53) CYP2D6CYP3A4CYP2C19CYP2C9KCNA5
SCHEMBL11558250 0.81 MEN1 (0.66) CYP2D6CYP1A2CYP2C19CYP2C9
SCHEMBL19631646 0.79 TACR1 (0.40) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL19631653 0.78 KCNA3 (0.51) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL4675389 0.77 KCNA5 (0.52) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL2054235 0.76 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL3658344 0.76 CYP2D6 (0.67) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL8717059 0.75 CYP2D6 (0.53) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL16227210 0.74 KCNA5 (1.00) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9
SCHEMBL16226493 0.74 KCNA5 (1.00) CYP2D6CYP1A2CYP3A4CYP2C19CYP2C9

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 8 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
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 CYP2D6 567/4885CYP1A2 348/4885CYP3A4 613/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A CYP2D6 264/4885CYP1A2 239/4885CYP3A4 361/4885

“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.