SCHEMBL507919

SCHEMBL507919

CN(c1ccc(CCC2CCCCC2)nc1)c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 2/20 0.35
HTR2B P41595 5/20 0.35
HTR2C P28335 4/20 0.35
HTR2A P28223 3/20 0.35
ADRA2A P08913 1/20 0.30
PNMT P11086 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL507563 0.85 HTR2B (0.39) HTR2BHTR2CHTR2AADRA2APNMT
SCHEMBL15590065 0.84 HTR2B (0.34) HTR2BHTR2CHTR2A
SCHEMBL15590096 0.84 HTR2B (0.34) HTR2BHTR2CHTR2A
Succinic Acid SCHEMBL507635 0.84 LTC4S (0.38) LTC4SHTR2BHTR2CHTR2A
SCHEMBL15589893 0.83 HTR2B (0.35) HTR2BHTR2CHTR2AADRA2APNMT
SCHEMBL508025 0.83 HTR2B (0.35) HTR2BHTR2CHTR2AADRA2APNMT
SCHEMBL15589938 0.83 HTR2B (0.35) HTR2BHTR2CHTR2AADRA2APNMT
SCHEMBL15590059 0.81 HTR2B (0.36) HTR2BHTR2CHTR2A
Succinic Acid SCHEMBL2369375 0.79 HTR2B (0.33) LTC4SHTR2BHTR2CHTR2A
SCHEMBL15590083 0.79 HTR2A (0.36) HTR2BHTR2CHTR2AADRA2APNMT

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
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

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 LTC4S 2466/4885HTR2B 6/4885HTR2C 1/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A LTC4S 1124/4885HTR2B 12/4885HTR2C 1/4885

“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.