Sugi Predict

Sugi Predict / Compounds / SCHEMBL3961806

SCHEMBL3961806

SCHEMBL3961806

CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(C#Cc3ccccc3)c2CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ NR1H2 P55055 1/20 0.43
▸ GPR119 Q8TDV5 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ GRM5 P41594 3/20 0.40
▸ POLB P06746 1/20 0.39
▸ STS P08842 2/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL507668 0.83 ESR2 (0.51) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL2252750 0.83 ESR2 (0.51) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL507382 0.82 GRM5 (0.45) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL13768479 0.82 ESR2 (0.46) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL14115666 0.81 ESR2 (0.49) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL3963048 0.81 ESR1 (0.43) ESR2GRM5PKMLMNATP53
SCHEMBL507391 0.80 ESR2 (0.42) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL506203 0.79 ESR2 (0.57) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL2255200 0.79 ESR2 (0.47) ESR2NR1H2GPR119MEN1KMT2A
SCHEMBL507329 0.78 ESR2 (0.53) ESR2NR1H2GPR119MEN1KMT2A

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 6 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

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 150/4885NR1H2 429/4885GPR119 42/4885

“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.