SCHEMBL3005693

SCHEMBL3005693

CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.73
MAPT P10636 4/20 0.73
TSHR P16473 7/20 0.72
L3MBTL1 Q9Y468 2/20 0.72
LMNA P02545 1/20 0.72
PKM P14618 1/20 0.71
MAPK1 P28482 1/20 0.62
POLB P06746 1/20 0.60
GAA P10253 1/20 0.56
HPGD P15428 2/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL18719793 0.81 TSHR (0.75) ALDH1A1MAPTTSHRL3MBTL1LMNA
SCHEMBL8084149 0.80 GAA (0.67) ALDH1A1MAPTTSHRL3MBTL1LMNA
SCHEMBL13228482 0.72 GAA (0.64) ALDH1A1MAPTTSHRL3MBTL1MAPK1
SCHEMBL13304690 0.71 KDM4E (0.74) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL28364433 0.70 MAPT (0.54) ALDH1A1MAPTTSHRL3MBTL1LMNA
SCHEMBL8024613 0.70 ALDH1A1 (0.67) ALDH1A1MAPTTSHRPKMGAA
SCHEMBL12135696 0.70 KDM4E (0.70) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL28360851 0.69 MAPT (0.53) ALDH1A1MAPTTSHRL3MBTL1LMNA
SCHEMBL3004449 0.69 KDM4E (0.68) ALDH1A1TSHRL3MBTL1LMNAMAPK1
SCHEMBL8271308 0.68 ESR1 (0.79) ALDH1A1MAPTTSHRMAPK1KDM4E

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-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 US disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
WO-2010002483-A1 OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2010-01-07 WO disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885MAPT 4314/4885TSHR 1570/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885MAPT 4314/4885TSHR 1570/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885MAPT 4314/4885TSHR 1570/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885MAPT 4314/4885TSHR 1570/4885

“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.