SCHEMBL700953

SCHEMBL700953

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nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL701748 1.00 ADORA3 (0.33) ADORA3ALDH1A1L3MBTL1PPARGPPARA
SCHEMBL700952 1.00 ADORA3 (0.33) ADORA3ALDH1A1L3MBTL1PPARGPPARA
SCHEMBL8643561 0.79 MMP8 (0.33)
SCHEMBL9350164 0.79 ADORA3 (0.34) ADORA3ALDH1A1PPARGPPARA
SCHEMBL9514143 0.79 ADORA3 (0.34) ADORA3ALDH1A1PPARGPPARA
SCHEMBL2327536 0.79 ADORA3 (0.34) ADORA3ALDH1A1PPARGPPARA
SCHEMBL6741779 0.74 PPARG (0.51) ALDH1A1PPARGPPARA
SCHEMBL16754032 0.74 PPARG (0.51) ALDH1A1PPARGPPARA
SCHEMBL8649495 0.74 ALDH1A1 (0.37) ALDH1A1L3MBTL1PPARA
SCHEMBL29163122 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338621-B2 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB S.A. (BE) 2012-12-25 US disclosed
US-8124634-B2 CB1 receptor modulators 7TM PHARMA A/S (DK) 2012-02-28 US disclosed
EP-1806339-B1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB PHARMA SA (BE) 2011-08-17 EP disclosed
US-20110124695-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors NOVARTIS AG (CH) 2011-05-26 US disclosed
WO-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 WO disclosed
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES UCB S.A. (BE) 2008-01-10 US disclosed
EP-1806339-A1 Process for the preparation of 2-oxo-1-pyrrolidine derivatives UCB, S.A. (BE) 2007-07-11 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
US-6653305-B2 For therapy of tumoral diseases, diseases of the lungs and respiratory tract BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-11-25 US disclosed
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-06-20 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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 ADORA3 2373/4885ALDH1A1 142/4885L3MBTL1 4797/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ADORA3 2373/4885ALDH1A1 142/4885L3MBTL1 4797/4885
US-20080009638-A1 PROCESS FOR THE PREPARATION OF 2-OXO-1-PYRROLIDINE DERIVATIVES CYP2F1, CYP3A5, SULT1E1 ADORA3 2816/4885ALDH1A1 300/4885L3MBTL1 4804/4885
US-20020077330-A1 Bicyclic heterocycles, pharmaceutical compositions containing them, their use, and processes for preparing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NR3C2, CYP11B2 ADORA3 1260/4885ALDH1A1 2095/4885L3MBTL1 3744/4885
US-20110124695-A1 Substituted carbamoylmethylamino acetic acid derivatives as novel NEP inhibitors MME, REN, AGTR1 ADORA3 263/4885ALDH1A1 175/4885L3MBTL1 3761/4885

“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.