SCHEMBL5758669

SCHEMBL5758669

CC(C)(C)OC(=O)N1CCC(O)(c2cc3ccc(Cl)cc3s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
STS P08842 3/20 0.41
CYP2C9 P11712 1/20 0.41
NAMPT P43490 1/20 0.41
DRD2 P14416 3/20 0.39
ACKR3 P25106 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP3A5 P20815 1/20 0.39
ANO1 Q5XXA6 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CHRNA7 P36544 2/20 0.37

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
SCHEMBL7870774 0.91 MEN1 (0.44) MEN1KMT2ASTSCYP2C9NAMPT
SCHEMBL5761208 0.88 GPR119 (0.41) KMT2ACYP2C9NAMPTACKR3CHRNA7
SCHEMBL5855289 0.87 HDAC2 (0.41) MEN1KMT2ACYP2C9NAMPTACKR3
SCHEMBL6311972 0.86 ALDH1A1 (0.46) MEN1KMT2ASTSCYP2C9NAMPT
SCHEMBL29891456 0.85 ACKR3 (0.53) MEN1KMT2ACYP2C9NAMPTDRD2
SCHEMBL5241257 0.85 ACKR3 (0.53) MEN1KMT2ACYP2C9NAMPTDRD2
SCHEMBL34470203 0.82 POLB (0.39) MEN1KMT2ASTSCYP2C9NAMPT
SCHEMBL7866382 0.80 STS (0.43) MEN1KMT2ASTSCYP2C9NAMPT
SCHEMBL24367036 0.79 PPARA (0.44) MEN1KMT2ASTSCYP2C9NAMPT
SCHEMBL30470743 0.79 PPARA (0.44) MEN1KMT2ASTSCYP2C9NAMPT

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144898-B2 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY (US) 2006-12-05 US disclosed
EP-1242411-B1 INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AND ANXIETY LILLY CO ELI (US) 2006-03-08 EP disclosed
US-20040006229-A1 Indole derivatives for the treatment of depression and anxiety ELI LILLY AND COMPANY 2004-01-08 US disclosed
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6172073-B1 BENZIMIDAZOLYLOXY ALKANAMINES AS SEROTONIN REUPTAKE INHIBITORS; NICOTINE AND TOBACCO WITHDRAWAL; PSYCHOLOGICAL, EATING, BRAIN, GASTROINTESTINAL, SLEEP, AND SEXUAL DISORDERS ELI LILLY AND COMPANY 2001-01-09 US disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
US-5789402-A Compounds having effects on serotonin-related systems ELI LILLY COMPANY (US) 1998-08-04 US disclosed
US-5741789-A HETERO-OXY ALKANAMINES ELI LILLY AND COMPANY (US) 1998-04-21 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed
US-5627196-A ANTIDEPRESSANTS AND ANTISEROTONIN AGENTS ELI LILLY AND COMPANY (US) 1997-05-06 US disclosed
US-5614523-A INDOLYLOXY COMPOUNDS ELI LILLY AND COMPANY (US) 1997-03-25 US disclosed
US-5576321-A ALKOXY-SUBSTITUTED INDOLES ELI LILLY AND COMPANY (US) 1996-11-19 US disclosed
WO-1996022290-A1 COMPOUNDS HAVING EFFECTS ON SEROTONIN-RELATED SYSTEMS ELI LILLY AND COMPANY (US) 1996-07-25 WO disclosed
EP-0722941-A2 Compounds having effects on serotonin-related systems ELI LILLY AND COMPANY (US) 1996-07-24 EP 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-20040006229-A1 Indole derivatives for the treatment of depression and anxiety IDO1, TPH1, IDO2 MEN1 3303/4885KMT2A 687/4885STS 3254/4885

“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.