SCHEMBL2369925

SCHEMBL2369925

CC(C)(C)CCc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cn1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.35
ESR2 Q92731 4/20 0.35
ACKR3 P25106 1/20 0.32
HTR1A P08908 1/20 0.32
MAPK1 P28482 3/20 0.32
ENPP2 Q13822 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
PDE5A O76074 1/20 0.31
HTR2A P28223 1/20 0.30
AXL P30530 1/20 0.30
TYRO3 Q06418 1/20 0.30
MERTK Q12866 1/20 0.30

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
SCHEMBL508785 0.89 ESR1 (0.39) ESR1ESR2ACKR3ENPP2GPBAR1
SCHEMBL2581911 0.87 ESR1 (0.35) ESR1ESR2ACKR3HTR1AMAPK1
SCHEMBL2584423 0.85 ESR1 (0.36) ESR1ESR2ACKR3HTR1AMAPK1
SCHEMBL2586652 0.83 ESR1 (0.34) ESR1ESR2ACKR3MAPK1ENPP2
SCHEMBL506788 0.83 ESR1 (0.38) ESR1ESR2ACKR3DRD3PDE5A
SCHEMBL2588786 0.82 ESR1 (0.35) ESR1ESR2ACKR3MAPK1ENPP2
SCHEMBL507637 0.82 ESR1 (0.37) ESR1ESR2ACKR3PDE5A
SCHEMBL2575837 0.81 SCN9A (0.34) ESR1ESR2MAPK1ENPP2PDE5A
SCHEMBL506555 0.81 ESR1 (0.39) ESR1ESR2ACKR3HTR1AHTR2A
SCHEMBL2584808 0.81 ESR1 (0.39) ESR1ESR2ACKR3ENPP2

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
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
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-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 (1 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 ESR1 331/4885ESR2 210/4885ACKR3 588/4885

“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.