SCHEMBL6602372

SCHEMBL6602372

CCOC(=O)C1COC(C)=N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 1/20 0.37
PTPN1 P18031 1/20 0.37
PPP1CC P36873 1/20 0.37
TSHR P16473 1/20 0.36
CCR3 P51677 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL1127480 0.81
SCHEMBL7429001 0.79 CCR3 (0.41) PPM1BPTPN1PPP1CCTSHRCCR3
SCHEMBL9787827 0.76 ALDH1A1 (0.39) ALDH1A1
SCHEMBL31429546 0.76
SCHEMBL22700052 0.76 TSHR (0.44) TSHR
SCHEMBL9744206 0.74 CCR3 (0.36) CCR3ALDH1A1
SCHEMBL11338964 0.72 MIF (0.38) TSHRALDH1A1MEN1GAAHPGD
SCHEMBL14765393 0.72
SCHEMBL31429466 0.71 KDM4E (0.45) ALDH1A1KDM4EMEN1MAPTKMT2A
SCHEMBL11063859 0.69 PPM1B (0.38) PPM1BPTPN1PPP1CCTSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658657-B2 2014-02-25 US disclosed
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
EP-0968194-B1 ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2004-05-26 EP disclosed
EP-0964860-B1 ATROPISOMERS OF 3-HETEROARYL-4(3H)-QUINAZOLINONES FOR THE TREATMENT OF NEURODEGENERATIVE AND CNS-TRAUMA RELATED CONDITIONS PFIZER PROD INC (US) 2004-04-21 EP disclosed
US-6465462-B1 COGNITION ENHANCEMENT FOR DEMENTING ILLNESSES SUCH AS ALZHEIMER'S DISEASE MERCK SHARP & DOHME LTD. 2002-10-15 US disclosed
US-6380204-B1 ALPHA-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID RECEPTOR ANTAGONIST ACTIVITY PFIZER INC 2002-04-30 US disclosed
US-6306864-B1 CEREBRAL DEFICITS SUBSEQUENT TO OR RESULTING FROM CARDIAC BYPASS SURGERY AND GRAFTING, STROKE, CEREBRAL ISCHEMIA, SPINAL CORD TRAUMA, HEAD TRAUMA PFIZER INC. 2001-10-23 US disclosed
EP-0968194-A1 ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS Pfizer Products Inc. (US) 2000-01-05 EP disclosed
EP-0964860-A1 ATROPISOMERS OF 3-HETEROARYL-4(3H)-QUINAZOLINONES FOR THE TREATMENT OF NEURODEGENERATIVE AND CNS-TRAUMA RELATED CONDITIONS Pfizer Products Inc. (US) 1999-12-22 EP disclosed
WO-1998038173-A1 ATROPISOMERS OF 3-ARYL-4(3H)-QUINAZOLINONES AND THEIR USE AS AMPA-RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 1998-09-03 WO disclosed
WO-1998038187-A1 ATROPISOMERS OF 3-HETEROARYL-4(3H)-QUINAZOLINONES FOR THE TREATMENT OF NEURODEGENERATIVE AND CNS-TRAUMA RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 1998-09-03 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 (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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 PPM1B 1299/4885PTPN1 4704/4885PPP1CC 3674/4885

“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.