SCHEMBL2206029

SCHEMBL2206029

CCc1ccc2c(c1N1CCC1)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ACKR3 P25106 1/20 0.38
HDAC6 Q9UBN7 1/20 0.33
PKM P14618 1/20 0.32
ABHD6 Q9BV23 4/20 0.32
TAAR1 Q96RJ0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 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
SCHEMBL507076 0.83 ESR1 (0.50) ESR1ESR2HTR2CHTR2BACKR3
SCHEMBL2209332 0.82 ESR1 (0.47) ESR1ESR2HTR2CHTR2BACKR3
SCHEMBL506768 0.77 ESR1 (0.46) ESR1ESR2HTR2CHTR2BACKR3
SCHEMBL507158 0.74 ESR1 (0.44) ESR1ESR2ACKR3PKMABHD6
SCHEMBL12433881 0.72 HTR2C (0.51) HTR2CHTR2B
SCHEMBL2209083 0.71 ESR1 (0.43) ESR1ESR2ACKR3HDAC6PKM
SCHEMBL506509 0.71 ESR1 (0.39) ESR1ESR2ACKR3RAB9A
SCHEMBL506510 0.71 ESR1 (0.39) ESR1ESR2ACKR3RAB9A
SCHEMBL507017 0.71 ESR2 (0.51) ESR1ESR2ACKR3HDAC6PKM
SCHEMBL13749172 0.71 ESR1 (0.45) ESR1ESR2ACKR3HDAC6PKM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
EP-1924578-B1 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2013-11-06 EP disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-7981882-B2 e.g. 7-Chloro-3-(2,2,2-trifluoroacetyl)-6-trifluoromethanesulfonyloxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine; antidepressant, anxiolytic agent; obesity, obsessive/compulsive disorder ELI LILLY AND COMPANY (US) 2011-07-19 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
US-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-09-04 US disclosed
WO-2007028132-A2 6-N-LINKED HETEROCYCLE-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO 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 (1 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-20080214520-A1 6-N-Linked Heterocycle-Substituted 2,3,4,5-Tetrahydro-1H-Benzo[d]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR3B, HTR1A ESR1 300/4885ESR2 261/4885HTR2C 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.