SCHEMBL508087

SCHEMBL508087

O=C(N1CCc2ccc(Cl)c(NCc3ccc(OC4CCCCC4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.39
EPHX2 P34913 3/20 0.39
ADRB2 P07550 4/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36
ACACB O00763 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX12 P18054 1/20 0.34

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
SCHEMBL507977 1.00 FAAH (0.39) FAAHEPHX2ADRB2ALDH1A1TSHR
SCHEMBL507487 0.89 ESR1 (0.34) EPHX2ADRB2ESR1ESR2PDE4B
SCHEMBL2585732 0.88 EPHX2 (0.36) FAAHEPHX2ESR1ESR2PDE4B
SCHEMBL507856 0.86 ESR1 (0.38) FAAHEPHX2ALDH1A1ESR1ESR2
SCHEMBL507875 0.86 GRM2 (0.39) EPHX2ESR1ESR2ACACB
SCHEMBL506930 0.85 ESR1 (0.49) ESR1ESR2KMT2A
SCHEMBL2580046 0.85 ESR1 (0.37) ESR1ESR2
SCHEMBL508213 0.85 ESR1 (0.37) ALDH1A1ESR1ESR2
SCHEMBL507859 0.84 ATM (0.37) ESR1ESR2
SCHEMBL12160192 0.84 ESR1 (0.42) ALDH1A1ESR1ESR2MEN1KMT2A

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 FAAH 668/4885EPHX2 1833/4885ADRB2 67/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A FAAH 400/4885EPHX2 1418/4885ADRB2 99/4885

“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.