SCHEMBL2586757

SCHEMBL2586757

CC1CC1C(=O)Nc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.36
ESR2 Q92731 4/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 2/20 0.34
ATM Q13315 1/20 0.33
PARP1 P09874 1/20 0.33
ACKR3 P25106 1/20 0.32
F2R P25116 1/20 0.32
CTNNB1 P35222 3/20 0.32
TCF7L2 Q9NQB0 3/20 0.32
F11 P03951 2/20 0.32
EPHX1 P07099 1/20 0.32
KLKB1 P03952 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL2586759 1.00 ESR1 (0.36) ESR1ESR2NPC1RAB9AMEN1
SCHEMBL2591618 0.86 PTPN1 (0.39) ESR1ESR2MEN1MAPTHPGD
SCHEMBL2582079 0.86 NPY2R (0.39) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL2578564 0.85 DRD2 (0.43) ESR1ESR2NPC1RAB9AATM
SCHEMBL506344 0.83 ESR1 (0.44) ESR1ESR2HPGDKMT2ASMN1; SMN2
SCHEMBL506258 0.82 ESR2 (0.51) ESR1ESR2NPC1MEN1HPGD
SCHEMBL507044 0.82 ESR1 (0.41) ESR1ESR2RAB9AHPGDKMT2A
SCHEMBL507153 0.82 ESR1 (0.41) ESR1ESR2MEN1HPGDKMT2A
SCHEMBL12160192 0.81 ESR1 (0.42) ESR1ESR2NPC1MEN1HPGD
SCHEMBL2590568 0.81 ALDH1A1 (0.40) ESR1ESR2MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680091-B2 6-arylalkylamino-2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2014-03-25 US disclosed
EP-1924561-B1 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2012-11-14 EP disclosed
US-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2011-11-03 US disclosed
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists ELI LILLY AND COMPANY 2008-10-30 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-20110269745-A1 6-ARYLALKYLAMINO-2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR1A, HTR2A ESR1 323/4885ESR2 261/4885NPC1 1309/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ESR1 323/4885ESR2 261/4885NPC1 1309/4885

“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.