SCHEMBL3963797

SCHEMBL3963797

O=C(N1CCc2ccc(Cl)c(-c3ccccc3OS(=O)(=O)C(F)(F)F)c2CC1)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.42
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
ABHD6 Q9BV23 3/20 0.36
PKM P14618 1/20 0.33
DRD3 P35462 3/20 0.33
HTR1D P28221 2/20 0.33
TP53 P04637 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL3966191 0.87 ESR1 (0.46) ESR1ESR2ABHD6PTGDR2
SCHEMBL3964584 0.83 ESR1 (0.46) DRD2ESR1ESR2ABHD6DRD3
SCHEMBL506132 0.81 ESR1 (0.46) DRD2ESR1ESR2ABHD6PKM
SCHEMBL506173 0.81 DRD2 (0.45) DRD2ESR1ESR2ABHD6DRD3
SCHEMBL14115667 0.80 ESR1 (0.46) ESR1ESR2ABHD6
SCHEMBL3961007 0.79 HTR2C (0.41) DRD2DRD3HTR1D
Hydrochloric Acid SCHEMBL3963008 0.79 HTR2C (0.40) DRD2DRD3HTR1D
SCHEMBL3964039 0.75 ESR1 (0.44) ESR1ESR2ABHD6
SCHEMBL14115773 0.74 ESR1 (0.43) ESR1ESR2
SCHEMBL506152 0.73 ESR1 (0.44) DRD2ESR1ESR2ABHD6PKM

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
EP-1926712-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2009-07-29 EP disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 US disclosed
US-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists ELI LILLY AND COMPANY 2008-08-28 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-20080207897-A1 6-Substituted-2,3,4,5-Tetrahydro-1H-Benzo[D] Azepines as 5-Ht2c Receptro Agonists HTR2C, HTR2A, HTR1A DRD2 21/4885ESR1 175/4885ESR2 150/4885

“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.