SCHEMBL6865331

SCHEMBL6865331

CC(C)(C)OC(=O)N[C@H]1CC(=O)N(Cc2ccccc2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
ALDH1A1 P00352 5/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 1/20 0.47
GLA P06280 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.45
HTT P42858 1/20 0.45
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL5425216 1.00 KMT2A (0.60) KMT2AL3MBTL1ALDH1A1MEN1GAA
SCHEMBL25593840 0.90 KMT2A (0.59) KMT2AL3MBTL1ALDH1A1MEN1GAA
SCHEMBL30478647 0.85 MTNR1A (0.70) KMT2AL3MBTL1MTNR1AMTNR1BSCN9A
SCHEMBL1982456 0.85 MTNR1A (0.70) KMT2AL3MBTL1MTNR1AMTNR1BSCN9A
SCHEMBL2330939 0.84 RORC (0.46) KMT2AL3MBTL1ALDH1A1MEN1GAA
SCHEMBL13434396 0.83 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL13461299 0.83 KMT2A (0.49) KMT2AL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL1815532 0.82 KMT2A (0.65) KMT2AL3MBTL1MEN1KDM1AMAOB
SCHEMBL29191410 0.81 KMT2A (0.52) KMT2AL3MBTL1TSHRPOLBKDM1A
SCHEMBL28557721 0.81 CTSK (0.43) KMT2AL3MBTL1GAAKDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404338-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES Aventis Pharma Deutschland GmbH (DE) 2004-04-07 EP disclosed
US-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes HERLING ANDREAS (DE) 2003-09-18 US disclosed
EP-0912520-B1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES AVENTIS PHARM PROD INC (US) 2003-05-07 EP disclosed
US-6559313-B2 Adenosine derivatives such as (1S,2R,3S,4R)-2,3-dihydroxy-4-(6-(1-(4-trifluormethylpyridin-2-yl)pyrrolidin-3(S)-yl-amino)purin-9-yl)cyclopentanecarboxylic acid isopropylamide AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-06 US disclosed
WO-2002092093-A1 ADENOSINE ANALOGUES FOR THE TREATMENT OF THE INSULIN RESISTANCE SYNDROME AND DIABETES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-11-21 WO disclosed
EP-1258247-A1 Adenosine analogues for the treatment of insulin resistance syndrome and diabetes Aventis Pharma Deutschland GmbH (DE) 2002-11-20 EP disclosed
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-07-25 US disclosed
US-6376472-B1 N6-SUBSTITUTED ADENOSINES AVENTIS PHARMACEUTICALS, INC. 2002-04-23 US disclosed
WO-2000023447-A1 ADENOSINE ANALOGUES HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC ANTILIPOLYTIC PROPERTIES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-04-27 WO disclosed
EP-0912520-A4 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE POULENC RORER PHARMA (US) 1999-10-06 EP disclosed
EP-0912520-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-05-06 EP disclosed
WO-1998001426-A1 COMPOUNDS HAVING ANTIHYPERTENSIVE, CARDIOPROTECTIVE, ANTI-ISCHEMIC AND ANTILIPOLYTIC PROPERTIES RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-01-15 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 (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-20030176390-A1 Methods of treating insulin resistance syndrome and diabetes IAPP, GPR119, INSR KMT2A 3621/4885L3MBTL1 4176/4885ALDH1A1 1392/4885
US-20020099030-A1 Compounds having antihypertensive, cardioprotective anti-ischemic and antilipolytic properties HMGCR, TGFB1, APOB KMT2A 2439/4885L3MBTL1 2449/4885ALDH1A1 388/4885

“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.