SCHEMBL2581883

SCHEMBL2581883

NCc1ccc(CNCC(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.43
TPSAB1 Q15661 3/20 0.42
PTPN1 P18031 1/20 0.42
PTPRZ1 P23471 1/20 0.42
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP3A4 P08684 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
ABAT P80404 1/20 0.38
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 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
SCHEMBL30279699 0.83 PTPN1 (0.42) LOXL2PTPN1PTPRZ1ANPEPERAP2
SCHEMBL22039743 0.81 CYP3A4 (0.61) PTPN1PTPRZ1CYP2D6CYP2C9CYP2C19
SCHEMBL6566557 0.79 SMN1; SMN2 (0.59) PTPN1PTPRZ1CYP2D6CYP2C9CYP2C19
SCHEMBL21799683 0.79 TPSAB1 (0.42) LOXL2TPSAB1ANPEPERAP2CYP2D6
SCHEMBL3606710 0.79 PYCR1 (0.50) PTPN1PTPRZ1CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL5378426 0.79 CYP3A4 (0.59) CYP2D6CYP2C9CYP2C19CYP3A4SMN1; SMN2
SCHEMBL17953203 0.79 KMT2A (0.56) PTPN1PTPRZ1CYP2D6CYP2C9CYP2C19
SCHEMBL550153 0.78 MEN1 (0.56) CYP3A4KMT2AGAA
Hydrochloric Acid SCHEMBL5381334 0.78 SMN1; SMN2 (0.57) PTPN1PTPRZ1SMN1; SMN2LMNAHTT
Hydrochloric Acid SCHEMBL5385718 0.77 MEN1 (0.54) CYP3A4KMT2AGAA

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 13 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
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
CN-101258131-B As 5-HT2c6-aralkylamino-2 receptor agonists LILLY CO ELI 2013-07-24 CN 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-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
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
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
CN-101258131-A As 5-HT2c6-aralkylamino-2, 3,4, 5-tetrahydro-1H-benzo [ d ] receptors as agonists]Aza * LILLY CO ELI (US) 2008-09-03 CN disclosed
EP-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 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 (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 LOXL2 3376/4885TPSAB1 1786/4885PTPN1 1870/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A LOXL2 3376/4885TPSAB1 1786/4885PTPN1 1870/4885

“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.