SCHEMBL3965053

SCHEMBL3965053

O=C(N1CCc2ccc(Cl)c(/C=C/c3ccncc3)c2CC1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.41
ESR2 Q92731 5/20 0.41
GPR142 Q7Z601 2/20 0.37
PKM P14618 1/20 0.34
CYP11B2 P19099 2/20 0.33
CYP17A1 P05093 1/20 0.31
CYP21A2 P08686 1/20 0.31
CYP11B1 P15538 1/20 0.31
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFE2L2 Q16236 1/20 0.31
KDM1A O60341 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NLRP3 Q96P20 1/20 0.31
NOTUM Q6P988 1/20 0.31
ACKR3 P25106 1/20 0.30

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
SCHEMBL14091657 1.00 ESR1 (0.41) ESR1ESR2GPR142PKMCYP11B2
SCHEMBL3965059 1.00 ESR1 (0.41) ESR1ESR2GPR142PKMCYP11B2
SCHEMBL13768860 0.88 NAMPT (0.40) ESR1ESR2CYP11B2JUNNFKB1
SCHEMBL3968842 0.88 NAMPT (0.40) ESR1ESR2CYP11B2JUNNFKB1
SCHEMBL3969443 0.88 NAMPT (0.40) ESR1ESR2CYP11B2JUNNFKB1
SCHEMBL3963019 0.84 ESR1 (0.40) ESR1ESR2PKMNFE2L2
SCHEMBL13768369 0.84 ESR1 (0.40) ESR1ESR2PKMNFE2L2
SCHEMBL3963018 0.84 ESR1 (0.40) ESR1ESR2PKMNFE2L2
SCHEMBL3971006 0.82 ESR1 (0.41) ESR1ESR2PKMNFE2L2
SCHEMBL3971003 0.82 ESR1 (0.41) ESR1ESR2PKMNFE2L2

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 150/4885GPR142 27/4885

“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.