SCHEMBL3963019

SCHEMBL3963019

O=C(N1CCc2ccc(Cl)c(C=Cc3ccccn3)c2CC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NFE2L2 Q16236 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
P2RX7 Q99572 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
ATM Q13315 1/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 2/20 0.34
NR1H2 P55055 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
SCHEMBL13768369 1.00 ESR1 (0.40) ESR1ESR2ALDH1A1SMN1; SMN2NFE2L2
SCHEMBL3963018 1.00 ESR1 (0.40) ESR1ESR2ALDH1A1SMN1; SMN2NFE2L2
SCHEMBL3965059 0.84 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL3965053 0.84 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL14091657 0.84 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL3963758 0.83 ESR1 (0.40) ESR1ESR2NFE2L2RAB9ANPC1
SCHEMBL3963762 0.83 ESR1 (0.40) ESR1ESR2NFE2L2RAB9ANPC1
SCHEMBL14091660 0.83 ESR1 (0.40) ESR1ESR2NFE2L2RAB9ANPC1
SCHEMBL3968842 0.82 NAMPT (0.40) ESR1ESR2NFE2L2MAPTHPGD
SCHEMBL3969443 0.82 NAMPT (0.40) ESR1ESR2NFE2L2MAPTHPGD

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 ESR1 175/4885ESR2 150/4885ALDH1A1 580/4885

“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.