SCHEMBL1989692

SCHEMBL1989692

CCOC(=O)C(=O)c1cccnc1NC(=O)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
MAPT P10636 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PPIA P62937 1/20 0.41
BRD4 O60885 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL30468628 1.00 HTT (0.51) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2301534 0.83 HTT (0.45) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL2301544 0.83 HTT (0.45) HTTMAPTCYP1A2CYP3A4CYP2D6
SCHEMBL6510650 0.81 ALDH1A1 (0.44) HTTMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL4244032 0.80 BRD4 (0.55) MAPTCYP1A2CYP3A4CYP2D6MAPK1
SCHEMBL18640774 0.78 DHODH (0.55) HTTMAPTCYP1A2CYP3A4MAPK1
SCHEMBL26054502 0.78 L3MBTL1 (0.49) HTTMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL1577612 0.78 TSHR (0.47) HTTMAPTCYP1A2CYP3A4CYP2C19
SCHEMBL17520240 0.75 ALDH1A1 (0.46) HTTCYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL4254113 0.74 TSHR (0.43) HTTMAPTCYP3A4CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025068487-A1 NEW HETEROCYCLIC COMPOUNDS BINDING TO SLC15A4 SOLGATE GMBH (AT) 2025-04-03 WO disclosed
CN-114716459-B Carboxyl substituted ruthenium complex, preparation method and application thereof 广州大学 2023-07-07 CN disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2655342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-10-30 EP disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 WO disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 WO disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-20090042928-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2009-02-12 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
US-7446112-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-04 US disclosed
EP-1709045-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2006-10-11 EP disclosed
US-20050171141-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2005-08-04 US disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 WO disclosed
WO-2005056552-A1 NAPHTHYRIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-06-23 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-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 HTT 1020/4885MAPT 3586/4885CYP1A2 2005/4885
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 HTT 1338/4885MAPT 3355/4885CYP1A2 2390/4885
US-20050171141-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 HTT 4097/4885MAPT 2360/4885CYP1A2 1408/4885
US-20090042928-A1 Modulators of muscarinic receptors CHRM3, CHRM2, CHRM4 HTT 4097/4885MAPT 2360/4885CYP1A2 1408/4885

“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.