SCHEMBL506555

SCHEMBL506555

O=C(N1CCc2ccc(Cl)c(NCc3ccc(F)cn3)c2CC1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
ADORA2B P29275 1/20 0.39
HTR2A P28223 6/20 0.35
CYP11B2 P19099 1/20 0.34
HTR1A P08908 3/20 0.33
ACKR3 P25106 1/20 0.33
P2RX7 Q99572 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR2C P28335 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTR2B P41595 1/20 0.33
KCNH2 Q12809 1/20 0.33
AXL P30530 1/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 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
SCHEMBL506933 0.86 ESR1 (0.36) ESR1ESR2HTR2AACKR3CYP1A2
SCHEMBL507472 0.85 HTT (0.42) ESR1ESR2ADORA2BACKR3CYP1A2
SCHEMBL2585732 0.83 EPHX2 (0.36) ESR1ESR2KCNH2
SCHEMBL2578404 0.82 ESR1 (0.33) ESR1ESR2HTR1A
SCHEMBL507876 0.82 ESR1 (0.42) ESR1ESR2ACKR3
SCHEMBL2369925 0.81 ESR1 (0.35) ESR1ESR2HTR2AHTR1AACKR3
SCHEMBL2581911 0.81 ESR1 (0.35) ESR1ESR2HTR1AACKR3
SCHEMBL2584423 0.80 ESR1 (0.36) ESR1ESR2HTR2AHTR1AACKR3
SCHEMBL506344 0.80 ESR1 (0.44) ESR1ESR2ACKR3
SCHEMBL507662 0.79 ESR1 (0.41) ESR1ESR2ACKR3CYP1A2CYP2C19

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 210/4885ADORA2B 233/4885
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 319/4885ADORA2B 78/4885

“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.