SCHEMBL3963758

SCHEMBL3963758

O=C(N1CCc2ccc(Cl)c(/C=C/c3ccccc3F)c2CC1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
NFE2L2 Q16236 3/20 0.36
GPR183 P32249 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ACKR3 P25106 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
NPC1 O15118 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
SCHEMBL14091660 1.00 ESR1 (0.40) ESR1ESR2NFE2L2GPR183TDP1
SCHEMBL3963762 1.00 ESR1 (0.40) ESR1ESR2NFE2L2GPR183TDP1
SCHEMBL3966272 0.88 ESR1 (0.41) ESR1ESR2NFE2L2GPR183PKM
SCHEMBL14091659 0.88 ESR1 (0.41) ESR1ESR2NFE2L2GPR183PKM
SCHEMBL3966273 0.88 ESR1 (0.41) ESR1ESR2NFE2L2GPR183PKM
SCHEMBL3966298 0.83 BCHE (0.42) ESR1ESR2TDP1PKMRAB9A
SCHEMBL13768369 0.83 ESR1 (0.40) ESR1ESR2NFE2L2PKMRAB9A
SCHEMBL3963019 0.83 ESR1 (0.40) ESR1ESR2NFE2L2PKMRAB9A
SCHEMBL3963018 0.83 ESR1 (0.40) ESR1ESR2NFE2L2PKMRAB9A
SCHEMBL14091658 0.83 BCHE (0.42) ESR1ESR2TDP1PKMRAB9A

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 3 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
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

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 ESR1 175/4885ESR2 150/4885NFE2L2 1570/4885

“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.