SCHEMBL2575799

SCHEMBL2575799

CC(NC(=O)Cc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
ACACB O00763 5/20 0.34
EPHX2 P34913 1/20 0.33
MAPK1 P28482 3/20 0.33
ACKR3 P25106 1/20 0.33
CNR2 P34972 2/20 0.31
P2RX7 Q99572 1/20 0.31
ENPP2 Q13822 1/20 0.31
ABHD6 Q9BV23 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL2575797 1.00 ESR1 (0.37) ESR1ESR2ACACBEPHX2MAPK1
SCHEMBL2588177 0.94 ESR1 (0.38) ESR1ESR2ACACBEPHX2MAPK1
SCHEMBL506391 0.86 ESR1 (0.39) ESR1ESR2ACACBACKR3ABHD6
SCHEMBL506344 0.85 ESR1 (0.44) ESR1ESR2MAPK1ACKR3ABHD6
SCHEMBL506930 0.84 ESR1 (0.49) ESR1ESR2ABHD6KMT2A
SCHEMBL507965 0.84 MAPK1 (0.37) ESR1ESR2EPHX2MAPK1
SCHEMBL507964 0.84 MAPK1 (0.37) ESR1ESR2EPHX2MAPK1
SCHEMBL506258 0.84 ESR2 (0.51) ESR1ESR2ACKR3ENPP2KMT2A
SCHEMBL507125 0.84 ESR1 (0.38) ESR1ESR2ACACBMAPK1ACKR3
SCHEMBL2581951 0.83 HTR2A (0.36) MAPK1CNR2TDP1

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 ESR1 323/4885ESR2 261/4885ACACB 2707/4885
US-20080269196-A1 6-Arylalkylamino-2,3,4,5-Tetrahydro-1H-Benzo[D]Azepines as 5-Ht2c Receptor Agonists HTR2C, HTR1A, HTR2A ESR1 323/4885ESR2 261/4885ACACB 2707/4885

“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.