SCHEMBL507368

SCHEMBL507368

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCc3cc(C#N)cs3)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.40
NR1H2 P55055 2/20 0.37
GPR119 Q8TDV5 6/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H3 Q13133 1/20 0.34
CETP P11597 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM1A O60341 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
DRD2 P14416 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
SCHEMBL507047 0.88 ESR2 (0.42) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL506853 0.82 ESR2 (0.41) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL507993 0.81 ESR2 (0.45) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL508593 0.80 ESR2 (0.41) ESR2NR1H2MAPTMEN1KMT2A
SCHEMBL507558 0.79 KDM1A (0.47) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL507306 0.79 ESR2 (0.36) ESR2NR1H2GPR119SMN1; SMN2KDM1A
SCHEMBL10229265 0.78 ESR2 (0.48) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL506835 0.77 ESR2 (0.43) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL507923 0.77 ESR2 (0.40) ESR2NR1H2GPR119MAPTMEN1
SCHEMBL507137 0.77 ESR2 (0.41) ESR2NR1H2GPR119MAPTMEN1

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 210/4885NR1H2 299/4885GPR119 36/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ESR2 319/4885NR1H2 665/4885GPR119 36/4885

“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.