SCHEMBL161728

SCHEMBL161728

CCC(C)OC(=O)c1ccnnc1[O]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
GABRA1 P14867 3/20 0.36
GABRG2 P18507 3/20 0.36
GABRB3 P28472 3/20 0.36
GABRA5 P31644 3/20 0.36
GABRA3 P34903 3/20 0.36
GABRA2 P47869 3/20 0.36
GABRA6 Q16445 1/20 0.36
ALDH1A1 P00352 3/20 0.36
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
MAPT P10636 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
CASP1 P29466 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
SCHEMBL161461 0.84 CA12 (0.44) ADRA1AALDH1A1MAPTHPGDKDM4E
SCHEMBL15204367 0.79 ADRA1A (0.46) ADRA1AL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL160323 0.78 TSHR (0.52) ALDH1A1MAPTKDM4ECASP1HSD17B10
SCHEMBL162981 0.77 ALDH1A1 (0.56) ADRA1AALDH1A1MAPTKDM4ELMNA
SCHEMBL162113 0.75 KDM4E (0.47) L3MBTL1ALDH1A1MAPTHPGDKDM4E
SCHEMBL6231293 0.73 ALDH1A1 (0.58) ADRA1AL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL158281 0.73 TSHR (0.57) L3MBTL1ALDH1A1HPGDKDM4ELMNA
SCHEMBL161715 0.72 L3MBTL1 (0.41) ADRA1AL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL161919 0.71 ALOX5 (0.41) ADRA1AALDH1A1MAPTHPGDKDM4E
SCHEMBL15204568 0.71 ALDH1A1 (0.49) ADRA1AL3MBTL1GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856210-B2 Pharmaceutical composition for prevention and treatment of amyotrophic lateral sclerosis KYOTO UNIVERSITY (JP) 2018-01-02 US disclosed
EP-2611437-B1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS UNIV KYOTO (JP) 2017-03-29 EP disclosed
US-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2013-08-29 US disclosed
EP-2611437-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS Kyoto University (JP) 2013-07-10 EP disclosed
WO-2012029994-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2012-03-08 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-20130225642-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS SMN1; SMN2, SOD1, SOD3 ADRA1A 4261/4885L3MBTL1 1654/4885GABRA1 3545/4885

“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.