SCHEMBL552963

SCHEMBL552963

CCC(N)CCc1cccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.55
IDO1 P14902 2/20 0.44
AGXT P21549 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
BACE1 P56817 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
MAOA P21397 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
SCHEMBL6478004 0.82 TAAR1 (0.48) TAAR1IDO1AGXTCYP1A2CYP2D6
SCHEMBL24288749 0.81 TAAR1 (0.56) TAAR1IDO1
SCHEMBL15901629 0.79 PNMT (0.36) TAAR1IDO1MEN1KMT2ACYP2D6
SCHEMBL15901705 0.79 PNMT (0.36) TAAR1IDO1MEN1KMT2ACYP2D6
SCHEMBL14542694 0.79 TAAR1 (0.50) TAAR1IDO1AGXTMEN1KMT2A
SCHEMBL2754722 0.79 TAAR1 (0.58) TAAR1IDO1AGXTMEN1KMT2A
SCHEMBL13220639 0.78 TAAR1 (0.57) TAAR1IDO1AGXTMEN1KMT2A
SCHEMBL1148969 0.77 ANPEP (0.48) TAAR1SIGMAR1MAOA
SCHEMBL13452965 0.77 ANPEP (0.48) TAAR1SIGMAR1MAOA
SCHEMBL4323451 0.77 ANPEP (0.48) TAAR1SIGMAR1MAOA

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-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 2652/4885IDO1 10/4885AGXT 4456/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TAAR1 2652/4885IDO1 10/4885AGXT 4456/4885

“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.