SCHEMBL10230474

SCHEMBL10230474

CN1CCc2ccc(Cl)c(SC(=O)N(C)C)c2CC1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
ADRA1D P25100 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
NOTUM Q6P988 2/20 0.40
PNMT P11086 7/20 0.38
DRD2 P14416 3/20 0.38
DRD1 P21728 2/20 0.37
DRD5 P21918 2/20 0.37
DRD3 P35462 2/20 0.37
DRD4 P21917 1/20 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
SCHEMBL11947214 0.84 NOTUM (0.34) ADRA2ACYP2D6ADRA2BADRA2CADRA1D
SCHEMBL506894 0.84 ESR1 (0.43) NOTUMPNMTDRD2
SCHEMBL10277571 0.83 PNMT (0.35) ADRA2AADRA2BADRA2CHTR2AHTR2C
SCHEMBL506613 0.82 ESR2 (0.46)
SCHEMBL506716 0.81 ESR2 (0.36) NOTUMPNMTDRD2
SCHEMBL2369534 0.70 ESR2 (0.44) PNMT
SCHEMBL508127 0.70 ESR1 (0.41) DRD2DRD3DRD4
SCHEMBL507912 0.70 ESR1 (0.41) DRD2
SCHEMBL507721 0.69 ESR1 (0.40) DRD2
SCHEMBL507121 0.69 NR1H2 (0.44)

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 2 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A ADRA2A 68/4885CYP2D6 264/4885ADRA2B 90/4885

“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.