SCHEMBL267087

SCHEMBL267087

COc1cccc(CCC(C)N)c1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.72
▸ AOC3 Q16853 1/20 0.57
▸ CHRM2 P08172 2/20 0.56
▸ CHRM1 P11229 2/20 0.56
▸ CHRM3 P20309 2/20 0.56
▸ IDO1 P14902 2/20 0.54
▸ AGXT P21549 2/20 0.54
▸ SIGMAR1 Q99720 1/20 0.53
▸ ABCB1 P08183 3/20 0.50
▸ HTR1A P08908 2/20 0.50
▸ DRD2 P14416 2/20 0.50
▸ HRH3 Q9Y5N1 1/20 0.50
▸ ABCG2 Q9UNQ0 1/20 0.49

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
SCHEMBL11991410 0.86 TAAR1 (0.62) TAAR1AOC3CHRM2CHRM1CHRM3
(S)-M-Methoxyamphetamine SCHEMBL3293027 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL269071 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL30813013 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
(S)-M-Methoxyamphetamine SCHEMBL11461072 0.84 TAAR1 (1.00) TAAR1IDO1AGXTSIGMAR1
SCHEMBL20683870 0.82 TAAR1 (0.57) TAAR1AOC3CHRM2CHRM1CHRM3
(S)-M-Methoxyamphetamine SCHEMBL30559562 0.82 TAAR1 (0.96) TAAR1IDO1AGXTSIGMAR1
SCHEMBL723511 0.81 TAAR1 (0.77) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL30080050 0.81 TAAR1 (0.77) TAAR1AOC3CHRM2CHRM1CHRM3
SCHEMBL7713131 0.81 TAAR1 (0.57) TAAR1AOC3CHRM2CHRM1CHRM3

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 11 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
WO-2001064644-A1 DICHLOROPYRIDYL- AND DICHLOROISOTHIAZOLYL-THIOCARBOXAMIDES AND THEIR USE AS MICROBICIDES NIHON BAYER AGROCHEM K.K. (JP) 2001-09-07 — — WO disclosed
EP-0114374-B1 SUBSTITUTED 4-AMINOMETHYLENE CHROMANS OR CHROMENES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN MEDICINES BAYER AG (DE) 1986-07-23 — — EP disclosed
US-4563458-A CIRCULATORY SYSTEM DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 1986-01-07 — — US disclosed
EP-0114374-A1 Substituted 4-aminomethylene chromans or chromenes, process for their preparation and their use in medicines BAYER AG (DE) 1984-08-01 — — EP disclosed
EP-0007205-A1 Optically active phenethanolamines, their formulations, use and preparation ELI LILLY AND COMPANY (US) 1980-01-23 — — 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 1322/4885AOC3 1000/4885CHRM2 4804/4885

“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.

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