SCHEMBL3969443

SCHEMBL3969443

O=C(N1CCc2ccc(Cl)c(C=Cc3cccnc3)c2CC1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
JUN P05412 1/20 0.36
MAPT P10636 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CLK2 P49760 1/20 0.35
CLK3 P49761 1/20 0.35
DYRK1A Q13627 1/20 0.35
CYP11B2 P19099 1/20 0.35

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
SCHEMBL3968842 1.00 NAMPT (0.40) NAMPTESR1ESR2HTR2AHTR2C
SCHEMBL13768860 1.00 NAMPT (0.40) NAMPTESR1ESR2HTR2AHTR2C
SCHEMBL3965059 0.88 ESR1 (0.41) ESR1ESR2JUNNFKB1NFE2L2
SCHEMBL14091657 0.88 ESR1 (0.41) ESR1ESR2JUNNFKB1NFE2L2
SCHEMBL3965053 0.88 ESR1 (0.41) ESR1ESR2JUNNFKB1NFE2L2
SCHEMBL14091662 0.83 ESR1 (0.41) ESR1ESR2KDM4ENPC1MAPT
SCHEMBL3971003 0.83 ESR1 (0.41) ESR1ESR2KDM4ENPC1MAPT
SCHEMBL3971006 0.83 ESR1 (0.41) ESR1ESR2KDM4ENPC1MAPT
SCHEMBL3963018 0.82 ESR1 (0.40) ESR1ESR2NPC1MAPTRAB9A
SCHEMBL13768369 0.82 ESR1 (0.40) ESR1ESR2NPC1MAPTRAB9A

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 NAMPT 4818/4885ESR1 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.