SCHEMBL507859

SCHEMBL507859

O=C(N1CCc2ccc(Cl)c(NCc3ccc(SC4CCCCC4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 5/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TLR9 Q9NR96 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PREP P48147 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
ACKR3 P25106 1/20 0.31
POLB P06746 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL2584692 0.89 ESR1 (0.37) ATMESR1ESR2SMN1; SMN2PREP
SCHEMBL507856 0.86 ESR1 (0.38) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL2580046 0.85 ESR1 (0.37) ESR1ESR2SMN1; SMN2PREPHPGD
SCHEMBL508213 0.85 ESR1 (0.37) ESR1ESR2SMN1; SMN2HPGDHTT
SCHEMBL507977 0.84 FAAH (0.39) ESR1ESR2
SCHEMBL508087 0.84 FAAH (0.39) ESR1ESR2
SCHEMBL506344 0.84 ESR1 (0.44) ESR1ESR2SMN1; SMN2HPGDHTT
SCHEMBL2591618 0.83 PTPN1 (0.39) ESR1ESR2HPGD
SCHEMBL2580279 0.83 ESR1 (0.40) ESR1ESR2SMN1; SMN2POLBHRH3
SCHEMBL506258 0.83 ESR2 (0.51) ESR1ESR2NPC1HPGDHTT

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 ATM 3885/4885ESR1 331/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ATM 3288/4885ESR1 311/4885ESR2 319/4885

“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.