SCHEMBL3963879

SCHEMBL3963879

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(C#CCCN3CCNC3=O)c2CC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
MAPK1 P28482 1/20 0.37
NR1H2 P55055 1/20 0.37
GRM5 P41594 2/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR119 Q8TDV5 5/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
STS P08842 1/20 0.32

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
SCHEMBL3967593 0.81 ESR2 (0.40) ESR2MAPK1NR1H2POLBTP53
SCHEMBL3966253 0.80 ESR2 (0.39) ESR2MAPK1NR1H2POLBTP53
SCHEMBL14091683 0.80 ESR2 (0.39) ESR2MAPK1NR1H2POLBTP53
SCHEMBL3966259 0.80 ESR2 (0.39) ESR2MAPK1NR1H2POLBTP53
SCHEMBL3965108 0.80 HTR2C (0.41) POLBKMT2A
SCHEMBL2252750 0.75 ESR2 (0.51) ESR2NR1H2POLBMEN1KMT2A
SCHEMBL507668 0.75 ESR2 (0.51) ESR2NR1H2GRM5POLBMEN1
SCHEMBL3961806 0.75 ESR2 (0.46) ESR2MAPK1NR1H2GRM5POLB
SCHEMBL13768479 0.74 ESR2 (0.46) ESR2NR1H2GRM5POLBMEN1
SCHEMBL507382 0.72 GRM5 (0.45) ESR2MAPK1NR1H2GRM5POLB

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 10 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
US-8420631-B2 Serotonin receptor antagonist; therapy for obesity, antidepressants, obsessive-compulsive disorders ELI LILLY AND COMPANY (US) 2013-04-16 US disclosed
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
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
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
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 ESR2 150/4885MAPK1 2985/4885NR1H2 429/4885

“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.