SCHEMBL506336

SCHEMBL506336

Clc1ccc2c(c1N(Cc1ccccc1)C1CCNC1)CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.45
SLC6A4 P31645 15/20 0.45
SLC6A3 Q01959 12/20 0.45
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
HTR2A P28223 1/20 0.42
CYP2D6 P10635 4/20 0.38
KCNH2 Q12809 1/20 0.37
NOS2 P35228 1/20 0.36

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
Succinic Acid SCHEMBL506380 0.93 SLC6A4 (0.40) SLC6A2SLC6A4SLC6A3HTR2CHTR2B
SCHEMBL506872 0.80 ACKR3 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL10228225 0.78 HTR2B (0.48) HTR2CHTR2BHTR2A
SCHEMBL507314 0.74 LMNA (0.48) HTR2CHTR2BHTR2A
Succinic Acid SCHEMBL507602 0.72 HTR2C (0.42) HTR2CHTR2BHTR2A
Succinic Acid SCHEMBL507540 0.71 LMNA (0.45) HTR2CHTR2BHTR2A
SCHEMBL5608695 0.70 SLC6A2 (0.55) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL3039607 0.70 PGR (0.64) SLC6A2SLC6A4SLC6A3CYP2D6NOS2
SCHEMBL25090743 0.68 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL24424448 0.68 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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.