SCHEMBL506885

SCHEMBL506885

O=C(N1CCc2ccc(Cl)c(NCc3ccc(-c4ccncc4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR142 Q7Z601 4/20 0.43
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
LSS P48449 2/20 0.36
ASPH Q12797 1/20 0.36
KDM8 Q8N371 1/20 0.36
FLT1 P17948 3/20 0.35
KDR P35968 3/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP2D6 P10635 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
ACKR3 P25106 1/20 0.33
P2RX7 Q99572 1/20 0.33

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
SCHEMBL506344 0.88 ESR1 (0.44) ESR1ESR2KMT2AACKR3
SCHEMBL506258 0.87 ESR2 (0.51) ESR1ESR2ASPHKDM8MEN1
SCHEMBL12160192 0.86 ESR1 (0.42) ESR1ESR2ASPHKDM8MEN1
SCHEMBL507092 0.86 PDK1 (0.36) ESR1ESR2ASPHKDM8FLT1
Hydrochloric Acid SCHEMBL2578390 0.85 ESR1 (0.41) ESR1ESR2ASPHKDM8MEN1
SCHEMBL507044 0.84 ESR1 (0.41) ESR1ESR2KMT2AACKR3
SCHEMBL507153 0.84 ESR1 (0.41) ESR1ESR2ASPHKDM8MEN1
SCHEMBL506930 0.83 ESR1 (0.49) ESR1ESR2ASPHKDM8KMT2A
SCHEMBL2580279 0.83 ESR1 (0.40) ESR1ESR2
SCHEMBL507339 0.83 PDE5A (0.41) ESR1ESR2MEN1KMT2ACYP2D6

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 GPR142 41/4885ESR1 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 GPR142 55/4885ESR1 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.