SCHEMBL2579164

SCHEMBL2579164

CC(Nc1nc(-c2ccc(C#N)cc2)cs1)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.52
VCP P55072 1/20 0.52
MAOA P21397 12/20 0.50
MAOB P27338 12/20 0.50
KDM4E B2RXH2 4/20 0.50
CFTR P13569 1/20 0.48
MEN1 O00255 2/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.46
KIT P10721 1/20 0.46

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
SCHEMBL2579162 1.00 GAA (0.52) GAAVCPMAOAMAOBKDM4E
SCHEMBL24590218 0.85 GAA (0.59) GAAVCPMAOAMAOBKDM4E
SCHEMBL2584616 0.80 KDM1A (0.41) VCPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2582215 0.80 KDM1A (0.41) VCPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2582216 0.80 KDM1A (0.41) VCPMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL2579091 0.78 GAA (0.64) GAAVCPMAOAMAOBKDM4E
SCHEMBL2575950 0.76 VCP (0.54) GAAVCPMAOAMAOBKDM4E
Bromide SCHEMBL4509188 0.75 VCP (0.53) GAAVCPMAOAMAOBKDM4E
SCHEMBL28911474 0.75 VCP (0.62) GAAVCPMAOAMAOBKDM4E
SCHEMBL2585048 0.74 GAA (0.52) GAAVCPMAOAMAOBKDM4E

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 6 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

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 GAA 4045/4885VCP 4448/4885MAOA 327/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A GAA 4045/4885VCP 4448/4885MAOA 327/4885

“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.