SCHEMBL508026

SCHEMBL508026

C1CC2CC2C1.CCCN(c1ccccn1)c1c(Cl)ccc2c1CCNCC2

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 1/20 0.32
LMNA P02545 3/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPM8 Q7Z2W7 1/20 0.31
NPC1 O15118 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
CXCR4 P61073 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR1D P28221 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
Hydrochloric Acid SCHEMBL2369010 0.75 HTR2B (0.44) HTR2BHTR2AHTR2CCYP2D6CYP2C19
Cyclohexane SCHEMBL507920 0.72 HTR2B (0.39) HTR2BHTR2AHTR2C
SCHEMBL229946 0.65 CYP2D6 (0.69) HTR2BHTR2AHTR2CCYP2D6CYP2C19
SCHEMBL30143833 0.65 CYP2D6 (0.69) HTR2BHTR2AHTR2CCYP2D6CYP2C19
Hydrochloric Acid SCHEMBL507240 0.64 PNMT (0.39) HTR2BHTR2AHTR2CCYP2D6CYP2C19
SCHEMBL3963915 0.64 HTR2B (0.47) HTR2BHTR2AHTR2CCYP2D6KDM4E
SCHEMBL10274765 0.64 HTR2C (0.53) HTR2BHTR2AHTR2CLMNAKDM4E
SCHEMBL10227500 0.63 NMT1 (0.47) HTR2BHTR2AHTR2C
SCHEMBL10228225 0.62 HTR2B (0.48) HTR2BHTR2AHTR2C
SCHEMBL15589928 0.62 HTR2B (0.35) 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 HTR2B 6/4885HTR2A 4/4885HTR2C 1/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR2B 12/4885HTR2A 4/4885HTR2C 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.