SCHEMBL506918

SCHEMBL506918

CC(Sc1c(Cl)ccc2c1CCN(C(=O)OC(C)(C)C)CC2)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
CYP3A4 P08684 2/20 0.39
CYP3A5 P20815 2/20 0.39
NR1H2 P55055 1/20 0.39
HPGDS O60760 2/20 0.39
MKNK1 Q9BUB5 1/20 0.38
GRM5 P41594 1/20 0.38
GRM1 Q13255 1/20 0.38
GHSR Q92847 1/20 0.37
RORC P51449 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
STS P08842 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL506920 0.89 ESR2 (0.42) ESR2GPR119CYP3A4CYP3A5NR1H2
SCHEMBL507317 0.81 ESR2 (0.43) ESR2GPR119NR1H2MEN1KMT2A
SCHEMBL508839 0.80 ESR2 (0.39) ESR2GPR119CYP3A4CYP3A5NR1H2
SCHEMBL508838 0.80 ESR2 (0.39) ESR2GPR119CYP3A4CYP3A5NR1H2
SCHEMBL508144 0.79 ESR2 (0.41) ESR2GPR119NR1H2TP53MEN1
SCHEMBL506856 0.79 ESR2 (0.39) ESR2GPR119NR1H2TP53MEN1
SCHEMBL507061 0.79 POLB (0.40) ESR2GPR119CYP3A4CYP3A5NR1H2
SCHEMBL2369209 0.79 CNR1 (0.42) ESR2GPR119NR1H2MKNK1GRM5
SCHEMBL506631 0.78 ESR2 (0.38) ESR2GPR119CYP3A4CYP3A5NR1H2
SCHEMBL508129 0.78 ESR2 (0.44) ESR2GPR119NR1H2GRM5MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ESR2 210/4885GPR119 36/4885CYP3A4 613/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885GPR119 36/4885CYP3A4 361/4885

“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.