SCHEMBL508264

SCHEMBL508264

CC(C)(C)CC(=O)c1ccc(CNc2c(Cl)ccc3c2CCN(C(=O)C(F)(F)F)CC3)c(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 4/20 0.39
HDAC6 Q9UBN7 4/20 0.37
HDAC8 Q9BY41 3/20 0.34
ACKR3 P25106 1/20 0.34
EPHX2 P34913 5/20 0.33
NR1H4 Q96RI1 5/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
HDAC1 Q13547 1/20 0.31
DDR1 Q08345 1/20 0.31
TMPRSS2 O15393 1/20 0.31
SCN9A Q15858 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
SCHEMBL508283 0.93 ESR1 (0.37) ESR1ESR2HDAC6HDAC8ACKR3
SCHEMBL508702 0.88 ESR1 (0.38) ESR1ESR2HDAC6HDAC8ACKR3
SCHEMBL506715 0.82 ESR1 (0.39) ESR1ESR2HDAC6ACKR3NR1H4
SCHEMBL507850 0.82 HTR2C (0.36) HDAC6HDAC8EPHX2NR1H4HDAC1
SCHEMBL507895 0.81 ESR1 (0.37) ESR1ESR2HDAC6ACKR3EPHX2
SCHEMBL507876 0.80 ESR1 (0.42) ESR1ESR2ACKR3
SCHEMBL507637 0.80 ESR1 (0.37) ESR1ESR2HDAC6HDAC8ACKR3
SCHEMBL507044 0.79 ESR1 (0.41) ESR1ESR2HDAC6HDAC8ACKR3
SCHEMBL507562 0.78 ESR1 (0.40) ESR1ESR2
Succinic Acid SCHEMBL508495 0.78 EPHX2 (0.35) HDAC6HDAC8EPHX2NR1H4HDAC1

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 210/4885HDAC6 1861/4885
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 319/4885HDAC6 2510/4885

“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.