SCHEMBL552962

SCHEMBL552962

NCCCCCc1cccc(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.71
MAOA P21397 1/20 0.55
HRH1 P35367 4/20 0.49
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL6183551 0.98 TAAR1 (0.74) TAAR1MAOAHRH1IDO1AGXT
SCHEMBL237142 0.92 TAAR1 (0.77) TAAR1MAOAIDO1AGXTSIGMAR1
Hydrochloric Acid SCHEMBL5234157 0.90 TAAR1 (0.74) TAAR1MAOAIDO1AGXTSIGMAR1
SCHEMBL19524669 0.90 TAAR1 (0.65) TAAR1IDO1AGXTSIGMAR1
SCHEMBL30957025 0.86 MAOA (0.67) TAAR1MAOAHRH1
SCHEMBL3457108 0.85 TAAR1 (0.60) TAAR1IDO1AGXTSIGMAR1
SCHEMBL3456220 0.85 TAAR1 (0.60) TAAR1IDO1AGXTSIGMAR1
SCHEMBL8731016 0.85 TAAR1 (0.60) TAAR1IDO1AGXTSIGMAR1
SCHEMBL16203114 0.84 TAAR1 (0.59) TAAR1MAOAIDO1AGXTSIGMAR1
SCHEMBL30444743 0.84 TAAR1 (0.59) TAAR1MAOAIDO1AGXTSIGMAR1

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
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-8354406-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-01-15 US disclosed
US-20120035164-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-02-09 US disclosed
US-8063071-B2 Chemical compounds GlaxoSmithKline, LLC (US) 2011-11-22 US disclosed
US-20090143372-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2009-06-04 US disclosed
EP-1896014-A2 CHEMICAL COMPOUNDS Smithkline Beecham Corporation (US) 2008-03-12 EP disclosed
WO-2007005534-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-01-11 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-20120035164-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TAAR1 2652/4885MAOA 940/4885HRH1 296/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TAAR1 2652/4885MAOA 940/4885HRH1 296/4885

“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.