SCHEMBL508785

SCHEMBL508785

CC(C)(C)CCc1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
ACKR3 P25106 1/20 0.34
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
PDE5A O76074 2/20 0.32
HDAC6 Q9UBN7 1/20 0.31
TMEM97 Q5BJF2 2/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PRLHR P49683 2/20 0.31
ENPP2 Q13822 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 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
SCHEMBL507637 0.89 ESR1 (0.37) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL2369925 0.89 ESR1 (0.35) ESR1ESR2ACKR3PDE5AENPP2
SCHEMBL507153 0.88 ESR1 (0.41) ESR1ESR2ACKR3KMT2AHPGD
SCHEMBL506788 0.88 ESR1 (0.38) ESR1ESR2ACKR3PDE5AHDAC6
SCHEMBL2369366 0.88 ESR1 (0.36) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL506344 0.88 ESR1 (0.44) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL2584415 0.87 ESR1 (0.37) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL2581859 0.87 ESR1 (0.37) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL506258 0.87 ESR2 (0.51) ESR1ESR2ACKR3KMT2ATDP1
SCHEMBL508702 0.87 ESR1 (0.38) ESR1ESR2ACKR3KMT2ATDP1

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 ESR1 331/4885ESR2 210/4885ACKR3 588/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR1 311/4885ESR2 319/4885ACKR3 372/4885

“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.