SCHEMBL506817

SCHEMBL506817

N#Cc1cccc(COc2ccc(CNc3c(Cl)ccc4c3CCN(C(=O)C(F)(F)F)CC4)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
ENPP2 Q13822 2/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
MRGPRX4 Q96LA9 3/20 0.39
PDE5A O76074 2/20 0.39
PDCD1 Q15116 2/20 0.38
CD274 Q9NZQ7 2/20 0.38
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
MMP1 P03956 1/20 0.37
ADAM17 P78536 1/20 0.37
S1PR1 P21453 1/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP19A1 P11511 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL507339 0.86 PDE5A (0.41) PDE5AESR1ESR2
SCHEMBL10228013 0.81 MAOB (0.43) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL506930 0.81 ESR1 (0.49) PDE5AESR1ESR2
SCHEMBL506258 0.80 ESR2 (0.51) ENPP2ESR1ESR2
Succinic Acid SCHEMBL507624 0.80 FFAR1 (0.52) FFAR1FFAR4MAOBMAOAMRGPRX4
SCHEMBL506788 0.80 ESR1 (0.38) PDE5AESR1ESR2
SCHEMBL506344 0.79 ESR1 (0.44) ESR1ESR2
SCHEMBL12160192 0.78 ESR1 (0.42) ENPP2PDE5AESR1ESR2
SCHEMBL507090 0.77 ESR1 (0.41) FFAR1FFAR4ESR1ESR2
SCHEMBL507562 0.77 ESR1 (0.40) ESR1ESR2

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
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 FFAR1 143/4885FFAR4 101/4885ENPP2 2303/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A FFAR1 113/4885FFAR4 52/4885ENPP2 1561/4885

“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.