SCHEMBL908124

SCHEMBL908124

CC(C(=O)OCc1ccccc1)N1CCOC1=O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
NAAA Q02083 9/20 0.48
FAAH O00519 8/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 2/20 0.43

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
SCHEMBL24535126 0.92 MEN1 (0.44) KDM4ENAAAFAAHMEN1KMT2A
SCHEMBL15110433 0.82 MEN1 (0.50) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL30890645 0.79 FAAH (0.45) KDM4ENAAAFAAHMEN1KMT2A
SCHEMBL13049037 0.77 MEN1 (0.59) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL22648518 0.77 MEN1 (0.59) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL12027622 0.77 MEN1 (0.59) MEN1KMT2ANPSR1ALDH1A1
SCHEMBL11681599 0.76 NAAA (0.60) NAAAFAAHMEN1KMT2ANPSR1
SCHEMBL21959862 0.76 CTSL (0.48) KMT2AALDH1A1
SCHEMBL15126843 0.75 L3MBTL1 (0.46) MEN1KMT2AALDH1A1
SCHEMBL21959850 0.75 L3MBTL1 (0.47) KDM4EALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020072391-A1 SMALL MOLECULE MENIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2020-04-09 WO 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
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
EP-2276756-B9 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2012-08-15 EP disclosed
WO-2012010862-A3 IMPROVED COMBUSTIBLE COMPOSITION RECKITT BENCKISER SOUTH AFRICA (PTY) LIMITED (ZA) 2012-05-10 WO disclosed
EP-2276756-B1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2011-11-30 EP disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 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
EP-2274296-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2011-01-19 EP disclosed
WO-2009124166-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO disclosed
WO-2009123870-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK & CO., INC. (US) 2009-10-08 WO 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 KDM4E 1791/4885NAAA 4116/4885FAAH 1344/4885
US-20120258963-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM4E 1791/4885NAAA 4116/4885FAAH 1344/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM4E 1791/4885NAAA 4116/4885FAAH 1344/4885
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 KDM4E 1825/4885NAAA 4286/4885FAAH 1275/4885

“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.