SCHEMBL2580356

SCHEMBL2580356

O=C(N1CCc2ccc(Cl)c(NCc3ccc(-c4cc(NCC5CC5)ncn4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.43
TBK1 Q9UHD2 3/20 0.39
GPR39 O43194 2/20 0.36
BRAF P15056 2/20 0.36
RAF1 P04049 1/20 0.36
ARAF P10398 1/20 0.36
CLK4 Q9HAZ1 3/20 0.35
DYRK1A Q13627 2/20 0.35
VCP P55072 5/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
PRCP P42785 1/20 0.33

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
SCHEMBL2581976 0.85 MMP12 (0.34) TRPV1VCPESR1ESR2
SCHEMBL2589580 0.84 TRPV1 (0.39) TRPV1TBK1CLK4ALDH1A1CYP1A2
SCHEMBL2585838 0.81 CRHR1 (0.43) TRPV1ESR1ESR2
SCHEMBL2586731 0.81 TRPV1 (0.42) TRPV1TBK1GPR39CLK4DYRK1A
Succinic Acid SCHEMBL2584817 0.80 TRPV1 (0.39) TRPV1TBK1GPR39CLK4DYRK1A
SCHEMBL506885 0.79 GPR142 (0.43) CYP2D6ESR1ESR2
SCHEMBL4775977 0.78 TBK1 (0.38) TRPV1TBK1GPR39CLK4DYRK1A
SCHEMBL506344 0.78 ESR1 (0.44) ALDH1A1ESR1ESR2
SCHEMBL506258 0.77 ESR2 (0.51) ESR1ESR2
SCHEMBL507856 0.77 ESR1 (0.38) ALDH1A1ESR1ESR2

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
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
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 TRPV1 480/4885TBK1 4278/4885GPR39 123/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A TRPV1 480/4885TBK1 4278/4885GPR39 123/4885

“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.