SCHEMBL909792

SCHEMBL909792

CC(C)(C)OC(=O)n1ccc(CCC(Br)C(=O)OCc2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ABCB1 P08183 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
PARP1 P09874 1/20 0.35
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL1155531 0.85 ALDH1A1 (0.38) POLBMAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL12878384 0.84 ATM (0.37) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL909353 0.82 MEN1 (0.40) SYKMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL12878388 0.79 CYP4F2 (0.43) POLBMAPT
SCHEMBL27962252 0.78 L3MBTL1 (0.48) MAPTMEN1KMT2AL3MBTL1
SCHEMBL17361380 0.77 CYP4F2 (0.42) POLBMAPTMEN1KMT2AABCB1
SCHEMBL27924455 0.75 CYP4F2 (0.39) POLBMAPTMEN1KMT2AABCB1
SCHEMBL8256336 0.74 MAPT (0.46) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL5869692 0.74 MAPT (0.46) POLBMAPTMEN1KMT2AALDH1A1
SCHEMBL10068400 0.74 ALDH1A1 (0.49) SYKKMT2AL3MBTL1ALDH1A1MAPK1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8653260-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2014-02-18 US disclosed
US-8501786-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
US-8399480-B2 Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-03-19 US disclosed
EP-2274296-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2012-10-11 US disclosed
US-8247415-B2 Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8247415-B2 Hydroxymethyl pyrrolidines as β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
WO-2012010862-A3 IMPROVED COMBUSTIBLE COMPOSITION RECKITT BENCKISER SOUTH AFRICA (PTY) LIMITED (ZA) 2012-05-10 WO disclosed
CN-102391255-A Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK SHARP & DOHME 2012-03-28 CN disclosed
EP-2276756-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-11-30 EP disclosed
CN-102056917-A Hydroxymethyl pyrrolidines as beta 3 adrenergic receptor agonists MERCK & CO INC 2011-05-11 CN disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
EP-2276756-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-26 EP disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
WO-2009124167-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 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 (4 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-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SYK 2263/4885POLB 1760/4885MAPT 3296/4885
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SYK 2263/4885POLB 1760/4885MAPT 3296/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SYK 2263/4885POLB 1760/4885MAPT 3296/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 SYK 2223/4885POLB 1679/4885MAPT 3311/4885

“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.