SCHEMBL553306

SCHEMBL553306

CC(C)NCCc1cc(Br)cs1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL2600221 0.71
SCHEMBL626634 0.70 SLC6A4 (0.39) SLC6A4SLC6A3ALDH1A1LMNAGSK3B
SCHEMBL15980826 0.69 NPSR1 (0.34) ALDH1A1KDM4ENPSR1
SCHEMBL15980807 0.69 LMNA (0.39) ALDH1A1KDM4ELMNANPSR1
SCHEMBL13532086 0.69 TAAR1 (0.50)
SCHEMBL172640 0.69 CA2 (0.34) SLC6A4SLC6A3ALDH1A1KDM4ELMNA
SCHEMBL621798 0.68 CES2 (0.35) SLC6A4SLC6A3ALDH1A1LMNAGSK3B
SCHEMBL3871715 0.68 ALDH1A1 (0.35) SLC6A4SLC6A3ALDH1A1LMNANPSR1
SCHEMBL2526951 0.68 CA2 (0.42) SLC6A4SLC6A3ALDH1A1
SCHEMBL13995989 0.68 ALDH1A1 (0.38) SLC6A4SLC6A3ALDH1A1

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 SLC6A4 4402/4885SLC6A3 4768/4885ALDH1A1 2634/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA SLC6A4 4402/4885SLC6A3 4768/4885ALDH1A1 2634/4885

“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.