SCHEMBL5400537

SCHEMBL5400537

COC(=O)C(c1ccccc1O)C1CCCC1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.51
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
DHFR P00374 1/20 0.47

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
SCHEMBL5379375 0.98 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL6951792 0.84 TSHR (0.51) SLC6A3SLC6A2SLC6A4
SCHEMBL11859597 0.82 SLC6A3 (0.61) SLC6A3SLC6A2SLC6A4
SCHEMBL28002074 0.82 SLC6A3 (0.51) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL27788695 0.81 LMNA (0.46)
SCHEMBL3650820 0.81 LMNA (0.46)
SCHEMBL27779720 0.80 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL29214387 0.80 LMNA (0.45) SLC6A3SLC6A2
SCHEMBL4206472 0.80 SLC6A3 (0.65) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL9678056 0.80 GABRA1 (0.41) SLC6A3SLC6A2SLC6A4

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
CN-115475153-A Glycopyrronium bromide liquid medicine for inhalation and application thereof 南京华盖制药有限公司 2022-12-16 CN disclosed
US-7253182-B2 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments SOFOTEC GMBH & CO. KG (DE) 2007-08-07 US disclosed
US-20030220400-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments Noe, Christian 2003-11-27 US disclosed
US-6613795-B2 Respiratory system disorders; muscle relaxants Noe, Christian (DE) 2003-09-02 US disclosed
US-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CHRISTIAN NOE AND ERNST MUTSCHLER 2002-11-21 US disclosed
US-6307060-B1 ANTISPASMODIC AGENTS Noe, Christian 2001-10-23 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 (2 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-20020173536-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CYP2A13, CYP3A43, HCAR2 SLC6A3 3980/4885SLC6A2 3854/4885SLC6A4 3768/4885
US-20030220400-A1 Enantiomerically pure basic arylcycloalkylhydroxycarboxylic esters, processes for their preparation and their use in medicaments CYP2A13, CYP3A43, HCAR2 SLC6A3 3980/4885SLC6A2 3854/4885SLC6A4 3768/4885

“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.