SCHEMBL11985489

SCHEMBL11985489

CC(C)(C)[Si](C)(C)O[C@H](c1cccc(Cl)c1)[C@@H](/C=C/C(=O)Cc1ccc(NC(=O)OCc2ccccc2)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
PTPN7 P35236 1/20 0.40
OPRD1 P41143 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
ENPP2 Q13822 1/20 0.37
HDAC8 Q9BY41 1/20 0.36

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
SCHEMBL11985459 0.82 OPRK1 (0.43) OPRK1MEN1LMNAMAPTALOX12
SCHEMBL11985528 0.82 OPRK1 (0.43) OPRK1MEN1LMNAMAPTALOX12
SCHEMBL11985475 0.82 OPRK1 (0.43) OPRK1MEN1LMNAMAPTALOX12
SCHEMBL11985474 0.82 OPRK1 (0.43) OPRK1MEN1LMNAMAPTALOX12
SCHEMBL18628311 0.79 MAPK1 (0.36) PPARG
SCHEMBL18628312 0.79 MAPK1 (0.36) PPARG
SCHEMBL16177949 0.76 MEN1 (0.36) MEN1LMNAKMT2A
SCHEMBL16177948 0.76 MEN1 (0.36) MEN1LMNAKMT2A
SCHEMBL16188055 0.73 ATM (0.46) LMNA
SCHEMBL15779862 0.69 EPHX2 (0.39) MEN1LMNAMAPTKMT2A

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-2563123-B1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2018-04-25 EP disclosed
US-8748433-B2 β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-06-10 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 US disclosed
US-8247415-B2 Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US 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-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRK1 44/4885MEN1 4423/4885LMNA 1572/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 OPRK1 15/4885MEN1 4284/4885LMNA 1232/4885

“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.