Sugi Predict

Sugi Predict / Compounds / SCHEMBL3967593

SCHEMBL3967593

SCHEMBL3967593

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(CCCCN3CCNC3=O)c2CC1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.40
▸ GPR119 Q8TDV5 7/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ NR1H2 P55055 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CCR5 P51681 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ P2RX3 P56373 1/20 0.33

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
SCHEMBL3966253 0.81 ESR2 (0.39) ESR2GPR119MAPK1NR1H2POLB
SCHEMBL3963879 0.81 ESR2 (0.39) ESR2GPR119MAPK1NR1H2POLB
SCHEMBL14091683 0.81 ESR2 (0.39) ESR2GPR119MAPK1NR1H2POLB
SCHEMBL3966259 0.81 ESR2 (0.39) ESR2GPR119MAPK1NR1H2POLB
SCHEMBL3966494 0.78 HTR2A (0.43) POLB
SCHEMBL2256587 0.78 ESR2 (0.51) ESR2GPR119NR1H2POLBKMT2A
SCHEMBL2254528 0.78 ESR2 (0.51) ESR2GPR119NR1H2POLBKMT2A
SCHEMBL2253554 0.77 ESR2 (0.50) ESR2GPR119NR1H2POLBTP53
SCHEMBL2255061 0.77 ESR2 (0.50) ESR2GPR119NR1H2POLBKMT2A
SCHEMBL2254913 0.77 ESR2 (0.50) ESR2GPR119NR1H2POLBKMT2A

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 8 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
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 150/4885GPR119 42/4885MAPK1 2985/4885

“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.