SCHEMBL7209388

SCHEMBL7209388

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.54
KMT2A Q03164 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
DRD2 P14416 3/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
MEN1 O00255 1/20 0.50
SYK P43405 1/20 0.49
EPHX1 P07099 1/20 0.48
ACACB O00763 4/20 0.48
ACACA Q13085 3/20 0.48
ATM Q13315 1/20 0.46

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
SCHEMBL3946595 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3946631 1.00 ALDH1A1 (0.56) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3261678 0.95 ALDH1A1 (0.59) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3261676 0.95 ALDH1A1 (0.59) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL6642475 0.93 KMT2A (0.52) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL6642481 0.93 KMT2A (0.52) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL13666981 0.92 SYK (0.57) KMT2ADRD2SYKACACBACACA
SCHEMBL13668666 0.92 SYK (0.57) KMT2ADRD2SYKACACBACACA
SCHEMBL30442637 0.90 ALDH1A1 (0.58) ALDH1A1GAATSHRKMT2AL3MBTL1
SCHEMBL3940932 0.90 ALDH1A1 (0.55) ALDH1A1GAATSHRKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 WO disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
EP-0846682-B9 PENICILLAMINAMIDE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-05-14 EP disclosed
EP-0846682-B1 PENICILLAMINAMIDE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2002-10-16 EP disclosed
EP-0669317-B1 Prolineamide derivatives MITSUBISHI CHEM CORP (JP) 2002-09-04 EP disclosed
US-6239150-B1 POTENT INHIBITORY ACTIVITY AGAINST THROMBIN, AND ARE USEFUL AS ANTICOAGULANTS. MITSUBISHI CHEMICAL CORPORATION (JP) 2001-05-29 US disclosed
EP-0846682-A1 PENICILLAMINAMIDE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 1998-06-10 EP disclosed
EP-0669317-A1 Prolineamide derivatives Mitsubishi Chemical Corporation (JP) 1995-08-30 EP 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 (1 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-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A ALDH1A1 2250/4885GAA 3010/4885TSHR 2972/4885

“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.