SCHEMBL12175403

SCHEMBL12175403

Clc1ccc2c(c1NCc1ccc(-c3csc(NCC4CCCCC4)n3)cc1)CCNCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 5/20 0.36
CDK9 P50750 5/20 0.36
MAOA P21397 5/20 0.35
MAOB P27338 5/20 0.35
HTR2B P41595 1/20 0.35
MAPT P10636 6/20 0.35
LMNA P02545 3/20 0.35
ALOX12 P18054 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34

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
SCHEMBL12175478 0.99 CCNK (0.36) CCNKCDK9MAOAMAOBHTR2B
SCHEMBL13685351 0.96 HTR2B (0.39) CCNKCDK9MAOAMAOBHTR2B
Succinic Acid SCHEMBL2586728 0.94 LMNA (0.36) CCNKCDK9HTR2BMAPTLMNA
Succinic Acid SCHEMBL2585778 0.93 MAPT (0.37) CCNKCDK9MAOAMAOBHTR2B
Succinic Acid SCHEMBL13685137 0.90 RAB9A (0.38) CCNKCDK9HTR2BMAPTLMNA
SCHEMBL12175406 0.86 ALDH1A1 (0.46) HTR2BMAPTLMNAALOX12SMN1; SMN2
SCHEMBL13685355 0.86 ALDH1A1 (0.50) MAOAMAOBHTR2BMAPTLMNA
SCHEMBL2580595 0.85 RAB9A (0.46) MAOAMAOBHTR2BMAPTLMNA
SCHEMBL12175427 0.85 CCNK (0.40) CCNKCDK9HTR2B
SCHEMBL13685400 0.84 RAB9A (0.41) MAOAMAOBHTR2BMAPTLMNA

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 7 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 claimed
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 claimed
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-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
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 CCNK 3107/4885CDK9 3502/4885MAOA 327/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A CCNK 3107/4885CDK9 3502/4885MAOA 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.