SCHEMBL266165

SCHEMBL266165

C[CH]CC(N)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.51
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
TACR1 P25103 3/20 0.43
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ACP3 P15309 2/20 0.41
CES2 O00748 1/20 0.41
OPRM1 P35372 2/20 0.40
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
OPRL1 P41146 2/20 0.40
TAAR1 Q96RJ0 1/20 0.40
EPHX1 P07099 1/20 0.40
DAO P14920 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39

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
SCHEMBL26101127 0.84 PNMT (0.51) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL13358891 0.84 PNMT (0.51) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL13358903 0.84 PNMT (0.51) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL1730002 0.81 PNMT (0.56) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL1727844 0.81 PNMT (0.56) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL2286649 0.81 PNMT (0.56) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL29707581 0.81 PNMT (0.56) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL265124 0.80 PDE2A (0.39) HTR2AHTR2CHTR2BIDO1TACR1
SCHEMBL20792210 0.80 PNMT (0.67) PNMTHTR2AHTR2CHTR2BIDO1
SCHEMBL734654 0.80 PNMT (0.67) PNMTHTR2AHTR2CHTR2BIDO1

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 PNMT 594/4885HTR2A 4765/4885HTR2C 4788/4885

“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.