SCHEMBL1014827

SCHEMBL1014827

CN(C)C=C(C(=O)O)C(=O)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL1014826 1.00 MEN1 (0.31) MEN1MAPTKMT2ACES2CES1
SCHEMBL25373049 0.92 CES2 (0.43) CES2CES1
SCHEMBL16246942 0.92 CES2 (0.38) CES2CES1
SCHEMBL16246940 0.92 CES2 (0.38) CES2CES1
SCHEMBL774760 0.87
SCHEMBL774759 0.87
SCHEMBL31352710 0.80
SCHEMBL31587724 0.79 MAPT (0.36) MEN1MAPTKMT2A
SCHEMBL1015830 0.79 MAPT (0.36) MEN1MAPTKMT2A
SCHEMBL1015828 0.79 MAPT (0.36) MEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP claimed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US claimed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 WO claimed
US-20110245223-A1 HETEROCYCLIC COMPOUNDS JAPAN TOBACCO INC. (JP) 2011-10-06 US disclosed
EP-2271629-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 AstraZeneca AB (SE) 2011-01-12 EP disclosed
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND JAPAN TOBACCO INC. (JP) 2010-01-14 US disclosed
WO-2009130496-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-29 WO disclosed
US-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 ASTRAZENECA AB (SE) 2009-10-22 US disclosed
EP-2103603-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND Japan Tobacco Inc. (JP) 2009-09-23 EP disclosed
EP-1889842-A1 HETEROCYCLIC COMPOUND Japan Tobacco, Inc. (JP) 2008-02-20 EP disclosed
US-20070072908-A1 Heterocyclic compounds JAPAN TOBACCO INC. (JP) 2007-03-29 US disclosed
US-6753334-B2 PREPARING A PHENYL OR QUINOLINYL HYDRAZINE BY REDUCING THE CORRESPONDING DIAZONIUM SALT WITH ASCORBIC ACID AND HEATING; COLORLESS PRODUCT; INTERMEDIATES TO DRUGS FOR REDUCING TISSUE DAMAGE FROM ISCHEMIA OR HYPOXIA PFIZER, INC. 2004-06-22 US disclosed
US-6627643-B2 Sodium-hydrogen exchanger type 1 (NHE-1) inhibitors of formula I' are useful for the prevention and treatment of myocardial ischemic injury. Myocardial ischemic injury can occur in out-patient in perioperative settings and can lead to sudden PFIZER INC. 2003-09-30 US disclosed
EP-1337508-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS Pfizer Products Inc. (US) 2003-08-27 EP disclosed
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER INC. 2003-06-26 US disclosed
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors LAMBERT JOHN F (US) 2002-06-27 US disclosed
WO-2002044133-A1 PREPARATION OF SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS PFIZER PRODUCTS INC. (US) 2002-06-06 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 (6 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-20090264401-A1 SUBSTITUTED PYRIMIDIN-5-CARBOXAMIDES 281 CYP2S1, HSD11B1, HSD3B1 MEN1 1994/4885MAPT 4375/4885KMT2A 1860/4885
US-20030119873-A1 METHODS FOR PREPARING SODIUM-HYDROGEN EXCHANGER TYPE-1 INHIBITORS NHERF1, SLC9A1, SLC9A2 MEN1 393/4885MAPT 4068/4885KMT2A 2616/4885
US-20110245223-A1 HETEROCYCLIC COMPOUNDS HSD11B1, HSD11B2, CYP11B1 MEN1 935/4885MAPT 4183/4885KMT2A 1820/4885
US-20020082274-A1 Preparation of sodium-hydrogen exchanger type-1 inhibitors SLC9A1, NHERF1, SLC9A5 MEN1 592/4885MAPT 3766/4885KMT2A 2694/4885
US-20070072908-A1 Heterocyclic compounds HSD11B1, HSD11B2, CYP11B1 MEN1 935/4885MAPT 4183/4885KMT2A 1820/4885
US-20100010219-A1 METHOD FOR PRODUCING PYRROLIDINE COMPOUND HSD11B1, HSD11B2, HSD17B11 MEN1 1832/4885MAPT 3680/4885KMT2A 3033/4885

“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.