SCHEMBL3966296

SCHEMBL3966296

O=C(N1CCc2ccc(Cl)c(-c3cccc(CNCC(F)(F)F)c3)c2CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
CSNK1E P49674 1/20 0.35
SLC5A1 P13866 1/20 0.34
ACKR3 P25106 1/20 0.34
CHRM3 P20309 3/20 0.33
CXCR4 P61073 2/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
FABP4 P15090 1/20 0.33
ENPP2 Q13822 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
SCHEMBL3964039 0.81 ESR1 (0.44) MEN1KMT2AESR1ESR2ACKR3
SCHEMBL14115667 0.80 ESR1 (0.46) MEN1KMT2AESR1ESR2ACKR3
SCHEMBL3963666 0.79 HTR2B (0.39) SLC5A1CHRM3
SCHEMBL507090 0.79 ESR1 (0.41) MEN1KMT2AESR1ESR2ACKR3
SCHEMBL14115741 0.74 CYP11B2 (0.44) ESR1ESR2
SCHEMBL5692508 0.73 ESR1 (0.47) ESR1ESR2ACKR3
SCHEMBL3968661 0.72 HDAC6 (0.43)
SCHEMBL506873 0.72 ESR1 (0.40) MEN1KMT2AESR1ESR2ACKR3
SCHEMBL3964584 0.71 ESR1 (0.46) ESR1ESR2ACKR3
SCHEMBL3964983 0.70 ESR1 (0.41) 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 5 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
EP-1926712-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2008-06-04 EP disclosed
WO-2007028131-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[d]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO 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 MEN1 3230/4885KMT2A 1315/4885ESR1 175/4885

“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.