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SCHEMBL908012

SCHEMBL908012

C#CCC[C@@H](C(=O)O)[C@H](O[Si](C)(C)C(C)(C)C)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30
▸ CHRNA4 P43681 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RIPK1 Q13546 1/20 0.30

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
SCHEMBL908013 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4ATML3MBTL1MEN1
SCHEMBL21278201 0.90 POLB (0.31) CYP3A4MEN1KMT2ALMNA
SCHEMBL16619746 0.90 POLB (0.31) CYP3A4MEN1KMT2ALMNA
SCHEMBL16619751 0.90 POLB (0.31) CYP3A4MEN1KMT2ALMNA
SCHEMBL16619749 0.90 POLB (0.31) CYP3A4MEN1KMT2ALMNA
SCHEMBL1155855 0.83 AKR1C3 (0.33) ALDH1A1
SCHEMBL1155853 0.83 AKR1C3 (0.33) ALDH1A1
SCHEMBL11899482 0.82 CYP3A4 (0.35) ALDH1A1CYP3A4ATML3MBTL1MEN1
SCHEMBL11899481 0.82 CYP3A4 (0.35) ALDH1A1CYP3A4ATML3MBTL1MEN1
SCHEMBL1156030 0.81 HCAR2 (0.32) —

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 25 patents — showing the first 20. 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
EP-2563123-B1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2018-04-25 — — EP disclosed
EP-2595483-B1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME (US) 2017-03-22 — — EP disclosed
US-9186354-B2 Pyrrolidine derived β3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2015-11-17 — — US disclosed
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2014-10-23 — — US 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
EP-2563123-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS Merck Sharp & Dohme Corp. (US) 2013-03-06 — — EP disclosed
US-20130053403-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2013-02-28 — — US disclosed
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT MERCK SHARP & DOHME CORPORATION (US) 2012-08-09 — — US 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
WO-2011137054-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-03 — — WO 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
WO-2009124166-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 (5 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 ALDH1A1 720/4885CYP3A4 468/4885ATM 3769/4885
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 369/4885CYP3A4 321/4885ATM 3922/4885
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 369/4885CYP3A4 321/4885ATM 3922/4885
US-20120202819-A1 COMBINATION THERAPY USING A BETA 3 ADRENERGIC RECEPTOR AGONISTS AND AN ANTIMUSCARINIC AGENT ADRB2, ADRB3, ADRA2A ALDH1A1 711/4885CYP3A4 894/4885ATM 3699/4885
US-20140315912-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 ALDH1A1 491/4885CYP3A4 925/4885ATM 3957/4885

“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.