SCHEMBL2575803

SCHEMBL2575803

CN(C(=O)Cc1ccc(CN)cc1)C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAP4K4 O95819 1/20 0.47
CCR5 P51681 7/20 0.47
F2 P00734 5/20 0.47
PABPC1 P11940 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
KCNH2 Q12809 1/20 0.45
PRSS1 P07477 1/20 0.45

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
SCHEMBL14297341 0.86 NPC1 (0.55) MEN1KMT2ACCR5SIGMAR1KCNH2
SCHEMBL4283829 0.84 CCR5 (0.62) KMT2ACCR5SIGMAR1KCNH2
SCHEMBL11394433 0.82 SIGMAR1 (0.64) MEN1KMT2ACCR5SIGMAR1
SCHEMBL7040051 0.82 ALDH1A1 (0.54) MEN1KMT2AF2
SCHEMBL11626650 0.80 MAP4K4 (0.57) MEN1KMT2AMAP4K4CCR5PABPC1
SCHEMBL13956186 0.79 MEN1 (0.49) MEN1KMT2AMAP4K4CCR5SIGMAR1
SCHEMBL2405156 0.78 CCR5 (0.60) CCR5SIGMAR1KCNH2
SCHEMBL2407533 0.78 KCNH2 (0.49) MEN1KMT2ACCR5SIGMAR1KCNH2
SCHEMBL19444606 0.77 CCR5 (0.64) MEN1KMT2AMAP4K4CCR5
SCHEMBL17896798 0.77 NPC1 (0.56) MEN1KMT2AMAP4K4CCR5SIGMAR1

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 4 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
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

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 MEN1 4387/4885KMT2A 1221/4885MAP4K4 3573/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A MEN1 4387/4885KMT2A 1221/4885MAP4K4 3573/4885

“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.