SCHEMBL507856

SCHEMBL507856

O=C(N1CCc2ccc(Cl)c(NCc3ccc(CC4CCCCC4)cc3)c2CC1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX2 P34913 1/20 0.33
FAAH O00519 1/20 0.33
PREP P48147 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2B P41595 1/20 0.32
MAPK14 Q16539 1/20 0.32
ACKR3 P25106 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL508213 0.87 ESR1 (0.37) ESR1ESR2SMN1; SMN2HPGDHTT
SCHEMBL2580046 0.87 ESR1 (0.37) ESR1ESR2SMN1; SMN2PREPHPGD
SCHEMBL507859 0.86 ATM (0.37) ESR1ESR2SMN1; SMN2NPC1RAB9A
SCHEMBL508087 0.86 FAAH (0.39) ESR1ESR2MEN1KMT2AEPHX2
SCHEMBL507977 0.86 FAAH (0.39) ESR1ESR2MEN1KMT2AEPHX2
SCHEMBL506344 0.86 ESR1 (0.44) ESR1ESR2SMN1; SMN2KMT2AHPGD
SCHEMBL2591618 0.86 PTPN1 (0.39) ESR1ESR2MEN1KMT2AHPGD
SCHEMBL2580279 0.86 ESR1 (0.40) ESR1ESR2SMN1; SMN2CYP2C9POLB
SCHEMBL2584692 0.85 ESR1 (0.37) ESR1ESR2SMN1; SMN2KMT2APREP
SCHEMBL506258 0.85 ESR2 (0.51) ESR1ESR2NPC1MEN1KMT2A

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 210/4885SMN1; SMN2 1853/4885
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 319/4885SMN1; SMN2 2954/4885

“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.