SCHEMBL3966652

SCHEMBL3966652

CC(C)(C)C(=O)NCC#Cc1c(Cl)ccc2c1CCN(C(=O)C(F)(F)F)CC2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
HDAC6 Q9UBN7 2/20 0.35
ACKR3 P25106 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
DRD4 P21917 5/20 0.32
DRD2 P14416 4/20 0.32
PTGES O14684 1/20 0.32
MGLL Q99685 1/20 0.32
AR P10275 2/20 0.31
NOTUM Q6P988 1/20 0.31
PKM P14618 1/20 0.31
ABHD6 Q9BV23 1/20 0.30
HTR1A P08908 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
SCHEMBL3965534 0.91 ESR1 (0.37) ESR1ESR2HDAC6ACKR3HDAC8
SCHEMBL3965551 0.84 ESR1 (0.36) ESR1ESR2ACKR3DRD2NOTUM
SCHEMBL507887 0.81 ESR1 (0.43) ESR1ESR2HDAC6ACKR3NOTUM
SCHEMBL3965505 0.78 HTR2A (0.43) DRD4DRD2PTGES
SCHEMBL2368626 0.78 ESR1 (0.38) ESR1ESR2ACKR3PKMABHD6
SCHEMBL2584808 0.77 ESR1 (0.39) ESR1ESR2HDAC6ACKR3PTGES
SCHEMBL2255041 0.77 ESR1 (0.48) ESR1ESR2ACKR3ARNOTUM
SCHEMBL3963048 0.76 ESR1 (0.43) ESR1ESR2ACKR3PKMABHD6
SCHEMBL3964266 0.76 NAMPT (0.38) ESR1ESR2DRD2
SCHEMBL2584415 0.74 ESR1 (0.37) ESR1ESR2HDAC6ACKR3DRD4

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 150/4885HDAC6 2142/4885

“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.