SCHEMBL507060

SCHEMBL507060

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(NCc3cncs3)c2CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.43
GPR119 Q8TDV5 1/20 0.39
NR1H2 P55055 1/20 0.38
ACACB O00763 1/20 0.37
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
GRM5 P41594 1/20 0.36
STS P08842 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MAPT P10636 1/20 0.35
PRKCI P41743 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL507464 0.82 ACHE (0.49) ESR2GPR119NR1H2STSLMNA
SCHEMBL506286 0.79 SMN1; SMN2 (0.46) ESR2GPR119NR1H2LMNAMAPT
SCHEMBL507655 0.78 SMN1; SMN2 (0.48) ESR2GPR119NR1H2LMNAMAPT
SCHEMBL507059 0.77 ESR2 (0.41) ESR2GPR119NR1H2ACACBSTS
SCHEMBL507644 0.76 ESR2 (0.44) ESR2GPR119NR1H2TP53MKNK1
SCHEMBL507238 0.76 ESR2 (0.41) ESR2GPR119NR1H2ACACBGRM5
SCHEMBL507237 0.76 ESR2 (0.41) ESR2GPR119NR1H2ACACBGRM5
SCHEMBL2579109 0.75 ESR2 (0.40) ESR2GPR119NR1H2STSLMNA
SCHEMBL2584818 0.75 ESR2 (0.40) ESR2GPR119NR1H2STSLMNA
SCHEMBL2586599 0.75 ESR2 (0.40) ESR2GPR119NR1H2STSLMNA

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 11 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
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
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-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-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
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 36/4885NR1H2 299/4885
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 36/4885NR1H2 665/4885

“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.