SCHEMBL10227565

SCHEMBL10227565

Cc1ccc2c(c1OS(=O)(=O)C(F)(F)F)CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.46
ESR2 Q92731 4/20 0.46
S1PR5 Q9H228 1/20 0.37
PKM P14618 1/20 0.35
ABHD6 Q9BV23 4/20 0.35
DRD2 P14416 6/20 0.34
DRD3 P35462 4/20 0.34
ACKR3 P25106 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 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
SCHEMBL506152 0.87 ESR1 (0.44) ESR1ESR2PKMABHD6DRD2
SCHEMBL507158 0.86 ESR1 (0.44) ESR1ESR2PKMABHD6DRD2
SCHEMBL13825293 0.86 ESR1 (0.43) ESR1ESR2PKMABHD6DRD2
SCHEMBL506888 0.86 ESR1 (0.43) ESR1ESR2PKMABHD6DRD2
SCHEMBL506132 0.86 ESR1 (0.46) ESR1ESR2PKMABHD6DRD2
SCHEMBL506487 0.86 ESR1 (0.43) ESR1ESR2PKMABHD6DRD2
SCHEMBL10227563 0.84 ESR1 (0.44) ESR1ESR2PKMABHD6DRD2
SCHEMBL506389 0.84 ESR1 (0.42) ESR1ESR2PKMABHD6DRD2
SCHEMBL507085 0.84 ESR1 (0.53) ESR1ESR2S1PR5ABHD6ACKR3
SCHEMBL506848 0.84 ESR1 (0.42) ESR1ESR2PKMABHD6DRD2

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 ESR1 311/4885ESR2 319/4885S1PR5 585/4885

“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.