SCHEMBL3971006

SCHEMBL3971006

O=C(N1CCc2ccc(Cl)c(C=Cc3cccc(F)c3)c2CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
STAT1 P42224 1/20 0.41
NFE2L2 Q16236 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.35
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KDR P35968 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL14091662 1.00 ESR1 (0.41) ESR1ESR2SMN1; SMN2ALDH1A1NPC1
SCHEMBL3971003 1.00 ESR1 (0.41) ESR1ESR2SMN1; SMN2ALDH1A1NPC1
SCHEMBL3966273 0.84 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL3966272 0.84 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL14091659 0.84 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL13768860 0.83 NAMPT (0.40) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL3969443 0.83 NAMPT (0.40) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL3968842 0.83 NAMPT (0.40) ESR1ESR2NPC1RAB9AMAPT
SCHEMBL14091657 0.82 ESR1 (0.41) ESR1ESR2NFE2L2PKM
SCHEMBL3965053 0.82 ESR1 (0.41) ESR1ESR2NFE2L2PKM

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 150/4885SMN1; SMN2 2685/4885

“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.