SCHEMBL552041

SCHEMBL552041

OB(O)c1ccc(CNC2CC2)s1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
USP2 O75604 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PABPC1 P11940 1/20 0.32
POLB P06746 2/20 0.31
HTT P42858 2/20 0.31
GRIN2B Q13224 1/20 0.31
GLA P06280 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
EP300 Q09472 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
SCHEMBL552144 0.93 HRH3 (0.41) TSHRRAB9ARXFP1USP2HRH3
SCHEMBL552450 0.78 MEN1 (0.39) TSHRMEN1KMT2AEP300
SCHEMBL552158 0.71 TSHR (0.39) TSHR
SCHEMBL552101 0.70 TSHR (0.38) TSHR
SCHEMBL177379 0.69 TSHR (0.48) TSHRMEN1KMT2AGLA
SCHEMBL29953913 0.69 TSHR (0.48) TSHR
SCHEMBL553400 0.68 TSHR (0.36) TSHR
SCHEMBL552018 0.67 HRH4 (0.38) TSHRHRH3
SCHEMBL553203 0.66 HRH3 (0.42) HRH3POLB
SCHEMBL552233 0.66 HRH3 (0.45) TSHRHRH3POLBHTT

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US 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 TSHR 3204/4885MEN1 4042/4885RAB9A 3519/4885
US-20090143372-A1 CHEMICAL COMPOUNDS IKBKG, NFKBIA, RELA TSHR 3204/4885MEN1 4042/4885RAB9A 3519/4885

“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.