SCHEMBL6487330

SCHEMBL6487330

Fc1cccc(CCI)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.63
ALDH1A1 P00352 2/20 0.54
HPGD P15428 1/20 0.54
ALOX15 P16050 1/20 0.54
ALOX12 P18054 1/20 0.54
CASP1 P29466 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SLC6A3 Q01959 2/20 0.52
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
DRD2 P14416 1/20 0.49
SLC6A4 P31645 1/20 0.49
DAO P14920 2/20 0.46
MAOB P27338 2/20 0.46
MIF P14174 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL17117518 0.87 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL3371633 0.85 TAAR1 (0.74) TAAR1ALDH1A1SLC6A3IDO1AGXT
SCHEMBL8591746 0.84 TAAR1 (0.65) TAAR1ALDH1A1SLC6A3IDO1AGXT
SCHEMBL22288272 0.83 ALDH1A1 (0.68) TAAR1ALDH1A1HPGDALOX15ALOX12
SCHEMBL1047252 0.82 TAAR1 (0.63) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL6661987 0.81
SCHEMBL144864 0.79 TAAR1 (0.72) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL28812860 0.78 TAAR1 (0.70) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL1047725 0.78 TAAR1 (0.59) TAAR1SLC6A3IDO1AGXTDRD2
SCHEMBL4869087 0.77 TAAR1 (0.63) TAAR1ALDH1A1SLC6A3IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111220715-A Method for separating and measuring safinamide mesylate and related substances thereof by liquid chromatography 万全万特制药(厦门)有限公司 2020-06-02 CN disclosed
US-9505753-B2 Inhibitors of D-amino acid oxidase THE JOHNS HOPKINS UNIVERSITY (US) 2016-11-29 US disclosed
US-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2015-08-06 US disclosed
WO-2014025993-A1 INHIBITORS OF D-AMINO ACID OXIDASE THE JOHNS HOPKINS UNIVERSITY (US) 2014-02-13 WO disclosed
WO-2010021149-A1 SPIRO COMPOUND CAPABLE OF INHIBITING ACID SECRETION 武田薬品工業株式会社 (JP) 2010-02-25 WO disclosed
US-20050240034-A1 Artemisinin-based peroxide compounds as broad spectrum anti-infective agents MISSISSIPPI, THE UNIVERSITY OF 2005-10-27 US disclosed
WO-2003095444-A1 ARTEMISININ-BASED PEROXIDE COMPOUNDS AS BROAD SPECTRUM ANTI-INFECTIVE AGENTS UNIVERSITY OF MISSISSIPI (US) 2003-11-20 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 (2 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-20150218156-A1 INHIBITORS OF D-AMINO ACID OXIDASE DDO, DAO, GRIN2A TAAR1 300/4885ALDH1A1 1465/4885HPGD 323/4885
US-20050240034-A1 Artemisinin-based peroxide compounds as broad spectrum anti-infective agents CASP10, HCCS, CASP9 TAAR1 4461/4885ALDH1A1 192/4885HPGD 449/4885

“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.