SCHEMBL507340

SCHEMBL507340

CN(c1cnccc1SC(C)(C)C)c1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 7/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
CYP11B2 P19099 1/20 0.33
GPR142 Q7Z601 1/20 0.32
ACKR3 P25106 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP3A5 P20815 1/20 0.30

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
SCHEMBL507341 0.78 ESR1 (0.36) SLC22A12ESR1ESR2CYP11B2GPR142
SCHEMBL2369928 0.71 ACKR3 (0.35) ESR1ESR2ACKR3
SCHEMBL507390 0.70 ESR1 (0.39) ESR1ESR2ACKR3
SCHEMBL507264 0.69 PKM (0.41) ESR1ESR2ACKR3
SCHEMBL14115741 0.68 CYP11B2 (0.44) ESR1ESR2CYP11B2
SCHEMBL506602 0.68 ESR1 (0.41) ESR1ESR2GPR142
SCHEMBL3964764 0.68 ESR1 (0.39) ESR1ESR2CYP11B2
SCHEMBL506894 0.68 ESR1 (0.43) ESR1ESR2ACKR3
SCHEMBL506164 0.67 ESR1 (0.55) ESR1ESR2CYP11B2ACKR3
SCHEMBL2258012 0.67 ESR1 (0.48) ESR1ESR2ACKR3

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 SLC22A12 451/4885ESR1 331/4885ESR2 210/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A SLC22A12 1037/4885ESR1 311/4885ESR2 319/4885

“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.