SCHEMBL507513

SCHEMBL507513

CC(Nc1c(C(F)(F)F)ccc2c1CCNCC2)c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 11/20 0.37
HTR2B P41595 9/20 0.37
HTR2A P28223 9/20 0.37
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
HTR7 P34969 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
GPR55 Q9Y2T6 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
SLC6A3 Q01959 1/20 0.32
HTR6 P50406 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL507512 1.00 HTR2C (0.37) HTR2CHTR2BHTR2ACCNE2CCNE1
Succinic Acid SCHEMBL507392 0.91 ITGB3 (0.37) CCNE2CCNE1CDK2MAPKAPK2SLC6A2
Succinic Acid SCHEMBL507393 0.91 ITGB3 (0.37) CCNE2CCNE1CDK2MAPKAPK2SLC6A2
SCHEMBL16471510 0.90 HTR2A (0.35) HTR2CHTR2BHTR2AHTR7HTR6
SCHEMBL10228392 0.85 HTR2C (0.38) HTR2CHTR2BHTR2ACCNE2CCNE1
SCHEMBL10228170 0.84 HTR2C (0.46) HTR2CHTR2BHTR2AMAPKAPK2HTR7
SCHEMBL507639 0.82 MAPKAPK2 (0.37) HTR2CHTR2BHTR2AMAPKAPK2HTR7
SCHEMBL507638 0.82 MAPKAPK2 (0.37) HTR2CHTR2BHTR2AMAPKAPK2HTR7
SCHEMBL507477 0.77 ESR1 (0.40) CDK2SLC6A3
SCHEMBL507478 0.77 ESR1 (0.40) CDK2SLC6A3

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