SCHEMBL5646973

SCHEMBL5646973

CCOC(=O)CC1CCCCN1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 16/20 0.53
PPARG P37231 1/20 0.52
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
GABRB2 P47870 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
SCHEMBL12707808 0.96 FFAR1 (0.57) FFAR1PPARGGABRA1GABRG2GABRB3
SCHEMBL29873861 0.86 FFAR1 (0.55) FFAR1PPARG
SCHEMBL183440 0.86 FFAR1 (0.48) FFAR1PPARGGABRA1GABRG2GABRB3
SCHEMBL5651128 0.82 FFAR1 (0.70) FFAR1PPARG
SCHEMBL1584822 0.81 FFAR1 (0.77) FFAR1PPARGGABRA1GABRG2GABRB3
Hydrochloric Acid SCHEMBL4055966 0.80 FFAR1 (0.68) FFAR1PPARG
SCHEMBL5192317 0.80 NOS2 (0.57)
SCHEMBL6883859 0.79 FFAR1 (0.56) FFAR1PPARG
SCHEMBL8095933 0.78 MEN1 (0.54)
SCHEMBL6211340 0.78 MEN1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060241082-A1 Modulating vesicular monoamine transporter trafficking and function: a novel approach for the treatment of parkinson's disease FLECKENSTEIN ANNETTE E 2006-10-26 US disclosed
WO-2004026258-A2 MODULATING VESICULAR MONOAMINE TRANSPORTER TRAFFICKING AND FUNCTION: A NOVEL APPROACH FOR THE TREATMENT OF PARKINSON’S DISEASE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2004-04-01 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-20060241082-A1 Modulating vesicular monoamine transporter trafficking and function: a novel approach for the treatment of parkinson's disease SLC18A2, SLC18A3, SLC6A3 FFAR1 1734/4885PPARG 1874/4885GABRA1 1048/4885

“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.