SCHEMBL2580115

SCHEMBL2580115

CN(c1cc(Cl)ncn1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 5/20 0.51
LCK P06239 1/20 0.43
S1PR1 P21453 11/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK1 P23458 4/20 0.37
S1PR3 Q99500 2/20 0.36
NPC1 O15118 1/20 0.35
JAK2 O60674 1/20 0.35

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
SCHEMBL11653023 0.81 MEN1 (0.40) JAK3MEN1KMT2ANPC1
SCHEMBL15114918 0.79 JAK3 (0.53) JAK3LCKS1PR1MEN1KMT2A
SCHEMBL937306 0.76 NPC1 (0.44) MEN1KMT2ANPC1JAK2
SCHEMBL18985819 0.74 ACACB (0.38) S1PR1MEN1KMT2A
SCHEMBL28264415 0.74 MEN1 (0.35) MEN1KMT2A
SCHEMBL9685872 0.72 NPC1 (0.39) MEN1KMT2ANPC1
SCHEMBL25892880 0.71 JAK3 (0.65) JAK3LCKS1PR1MEN1KMT2A
SCHEMBL17303548 0.70 JAK3 (0.44) JAK3LCKS1PR1JAK1S1PR3
SCHEMBL15830309 0.69 JAK3 (0.47) JAK3LCKS1PR1S1PR3
SCHEMBL16665315 0.68 FGFR4 (0.37) NPC1

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 JAK3 1583/4885LCK 4277/4885S1PR1 824/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A JAK3 1583/4885LCK 4277/4885S1PR1 824/4885

“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.