SCHEMBL507740

SCHEMBL507740

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(SCCCN3C(=O)Cc4ccccc43)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.40
HTR1A P08908 5/20 0.40
DRD2 P14416 6/20 0.39
DRD3 P35462 6/20 0.39
DRD5 P21918 3/20 0.39
DRD4 P21917 3/20 0.38
ESR2 Q92731 1/20 0.37
UTS2R Q9UKP6 2/20 0.36

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
SCHEMBL507235 0.86 ALDH1A1 (0.42) HTR7HTR1ADRD3ESR2
SCHEMBL507013 0.85 ESR2 (0.36) ESR2
SCHEMBL508050 0.83 ESR2 (0.43) ESR2
SCHEMBL10229255 0.81 ESR2 (0.40) ESR2
SCHEMBL508112 0.81 ESR2 (0.44) ESR2
SCHEMBL507911 0.81 ESR2 (0.44) ESR2
SCHEMBL507613 0.80 ESR2 (0.42) ESR2
SCHEMBL507019 0.79 ESR2 (0.46) ESR2
SCHEMBL507641 0.79 ESR2 (0.41) ESR2
SCHEMBL507814 0.79 ESR2 (0.41) ESR2

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 HTR7 12/4885HTR1A 5/4885DRD2 30/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR7 14/4885HTR1A 3/4885DRD2 23/4885

“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.