SCHEMBL266149

SCHEMBL266149

CC(N)CCc1cccc(O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.58
DRD2 P14416 2/20 0.58
DRD1 P21728 2/20 0.58
OPRK1 P41145 5/20 0.57
OPRM1 P35372 4/20 0.57
OPRD1 P41143 4/20 0.57
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
ENPP2 Q13822 1/20 0.52
DRD4 P21917 1/20 0.49
DRD5 P21918 1/20 0.49
DRD3 P35462 1/20 0.49
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
CYP1A2 P05177 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
SCHEMBL104012 0.85 OPRK1 (0.70) TAAR1DRD2DRD1OPRK1OPRM1
SCHEMBL2150846 0.83 DRD2 (0.60) TAAR1DRD2DRD1OPRK1OPRM1
SCHEMBL11593827 0.83 CHRM2 (0.59) TAAR1DRD2DRD1OPRK1OPRM1
Gepefrine SCHEMBL30011768 0.82 TAAR1 (0.61) TAAR1DRD2DRD1ENPP2CYP1A2
Gepefrine SCHEMBL2562808 0.82 TAAR1 (0.61) TAAR1DRD2DRD1ENPP2CYP1A2
Gepefrine SCHEMBL149774 0.82 TAAR1 (0.61) TAAR1DRD2DRD1ENPP2CYP1A2
Gepefrine SCHEMBL265538 0.82 TAAR1 (0.61) TAAR1DRD2DRD1ENPP2CYP1A2
Hydrochloric Acid SCHEMBL28794046 0.81 DRD2 (0.58) TAAR1DRD2DRD1OPRK1OPRM1
Gepefrine SCHEMBL2903938 0.81 TAAR1 (0.59) TAAR1DRD2DRD1ENPP2KMT2A
Gepefrine SCHEMBL2903935 0.81 TAAR1 (0.59) TAAR1DRD2DRD1ENPP2KMT2A

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-8431378-B2 Aminotransferase, gene encoding the same, and methods of using them KANEKA CORPORATION (JP) 2013-04-30 US disclosed
US-20120164724-A1 NOVEL AMINOTRANSFERASE, GENE ENCODING THE SAME, AND METHODS OF USING THEM KANEKA CORPORATION (JP) 2012-06-28 US disclosed
US-8133705-B2 Aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2012-03-13 US disclosed
US-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them KANEKA CORPORATION (JP) 2010-11-11 US disclosed
EP-1889907-B1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME KANEKA CORP (JP) 2009-09-02 EP disclosed
EP-1889907-A1 NOVEL AMINO GROUP TRANSFERASE, GENE ENCODING THE SAME AND METHOD OF USING THE SAME Kaneka Corporation (JP) 2008-02-20 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-20100285544-A1 Novel aminotransferase, gene encoding the same, and method of using them BCAT1, AGXT, ALDH7A1 TAAR1 1322/4885DRD2 4646/4885DRD1 4086/4885

“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.