SCHEMBL508025

SCHEMBL508025

CN(c1ccc(CCC2CCCCC2)cn1)c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 6/20 0.35
HTR2C P28335 4/20 0.35
HTR2A P28223 3/20 0.35
PDGFRB P09619 1/20 0.32
PDGFRA P16234 1/20 0.32
BRS3 P32247 1/20 0.30
SYK P43405 1/20 0.30
KCNH2 Q12809 1/20 0.30
AURKB Q96GD4 1/20 0.30
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
SCHEMBL15589910 0.84 CXCR4 (0.36) HTR2BHTR2CHTR2A
SCHEMBL507919 0.83 LTC4S (0.35) HTR2BHTR2CHTR2AADRA2APNMT
Succinic Acid SCHEMBL508062 0.81 HTR2B (0.33) HTR2BHTR2CHTR2ABRS3
SCHEMBL15589928 0.79 HTR2B (0.35) HTR2BHTR2CHTR2AKCNH2ADRA2A
SCHEMBL15589864 0.79 HTR2C (0.36) HTR2BHTR2CHTR2APDGFRBPDGFRA
SCHEMBL15589937 0.79 HTR2C (0.36) HTR2BHTR2CHTR2APDGFRBPDGFRA
Succinic Acid SCHEMBL15590108 0.79 NMT1 (0.33) HTR2BHTR2CHTR2A
SCHEMBL508024 0.78 SLC6A2 (0.39) HTR2BHTR2CHTR2AADRA2APNMT
SCHEMBL10230538 0.77 HTR2B (0.35) HTR2BHTR2CHTR2APDGFRBPDGFRA
Succinic Acid SCHEMBL15590094 0.74 FFAR4 (0.37) HTR2BHTR2CHTR2A

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 HTR2B 6/4885HTR2C 1/4885HTR2A 4/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR2B 12/4885HTR2C 1/4885HTR2A 4/4885

“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.