SCHEMBL508024

SCHEMBL508024

CC(c1ccc(N(C)c2c(Cl)ccc3c2CCNCC3)nc1)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
HTR2B P41595 7/20 0.36
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
REN P00797 1/20 0.32
CYP2D6 P10635 1/20 0.31
PNMT P11086 2/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
S1PR1 P21453 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
SCHEMBL507918 0.81 HTR2B (0.36) SLC6A2SLC6A4SLC6A3HTR2BHTR2A
SCHEMBL15589937 0.80 HTR2C (0.36) SLC6A2SLC6A4SLC6A3HTR2BHTR2A
SCHEMBL15589864 0.80 HTR2C (0.36) SLC6A2SLC6A4SLC6A3HTR2BHTR2A
SCHEMBL15589910 0.79 CXCR4 (0.36) HTR2BHTR2AHTR2C
SCHEMBL15589928 0.78 HTR2B (0.35) HTR2BHTR2AHTR2CPNMTADRA2A
SCHEMBL508025 0.78 HTR2B (0.35) HTR2BHTR2AHTR2CPNMTADRA2A
Succinic Acid SCHEMBL15590108 0.74 NMT1 (0.33) HTR2BHTR2AHTR2CS1PR1
Succinic Acid SCHEMBL15589892 0.73 FFAR4 (0.37) HTR2BHTR2AHTR2CS1PR1
Succinic Acid SCHEMBL15590094 0.73 FFAR4 (0.37) HTR2BHTR2AHTR2CS1PR1
Succinic Acid SCHEMBL15589843 0.73 HTR2A (0.31) HTR2BHTR2AHTR2C

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 SLC6A2 259/4885SLC6A4 99/4885SLC6A3 242/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SLC6A2 223/4885SLC6A4 42/4885SLC6A3 129/4885

“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.