SCHEMBL2579000

SCHEMBL2579000

N#Cc1ccc(C(N)C2CCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.47
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
CYP19A1 P11511 4/20 0.43
SLC6A3 Q01959 2/20 0.41
HRH3 Q9Y5N1 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 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
SCHEMBL507034 0.82 DHODH (0.50) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL8433299 0.79 TSHR (0.47) EPHX1MAOAMAOBNPC1RAB9A
SCHEMBL22868078 0.76 OPRM1 (0.44) EPHX1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL8249222 0.76 RPS6KB1 (0.45) EPHX1NPC1RAB9A
SCHEMBL12052187 0.76 RPS6KB1 (0.45) EPHX1NPC1RAB9A
SCHEMBL8250604 0.76 RPS6KB1 (0.45) EPHX1NPC1RAB9A
SCHEMBL3964601 0.75 IDO1 (0.36) EPHX1RAB9ASLC6A3MEN1KMT2A
SCHEMBL24742273 0.75 IDO1 (0.58) MEN1KMT2A
SCHEMBL20721161 0.75 IDO1 (0.58) MEN1KMT2A
SCHEMBL2677265 0.75 IDO1 (0.58) MEN1KMT2A

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 8 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
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-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

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 EPHX1 1498/4885MAOA 327/4885MAOB 380/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A EPHX1 1498/4885MAOA 327/4885MAOB 380/4885

“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.