SCHEMBL77478

SCHEMBL77478

CC(C)(C)OC(=O)N1C[C@H](O)C[C@]1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.38
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
RORC P51449 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL1924787 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL142226 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5153017 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL376697 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5203966 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL6491588 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3949211 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3679572 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL4769152 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL15913256 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114591212-B Human plasma kallikrein inhibitors 拜奥克里斯特制药公司 2025-01-28 CN disclosed
CN-116354862-A Substituted azacyclic compounds and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2014-08-07 US disclosed
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
US-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors MERCK PATENT GMBH (DE) 2011-10-27 US disclosed
WO-2011088045-A1 AURORA KINASE COMPOUNDS AND METHODS OF THEIR USE AMBIT BIOSCIENCES CORPORATION (US) 2011-07-21 WO disclosed
EP-1686996-A4 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-11-12 EP disclosed
US-7368453-B2 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION (US) 2008-05-06 US disclosed
EP-1686996-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2006-08-09 EP disclosed
EP-1651229-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS Chiron Corporation (US) 2006-05-03 EP disclosed
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation CHIRON CORPORATION GLAXOSMITHKLINE 2005-09-01 US disclosed
WO-2005051391-A1 QUINAZOLINONE COMPOUNDS WITH REDUCED BIOACCUMULATION CHIRON CORPORATION (US) 2005-06-09 WO disclosed
WO-2004112793-A1 GUANIDINO-SUBSTITUTED QUINAZOLINONE COMPOUNDS AS MC4-R AGONISTS CHIRON CORPORATION (US) 2004-12-29 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 (3 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-20110263561-A1 Novel pyrrolidone derivatives for use as MetAP-2 inhibitors METAP2, METAP1, ENPEP CHRM2 1819/4885CHRM1 2640/4885CHRM3 4095/4885
US-20140221332-A1 METABOTROPHIC GLUTAMATE RECEPTOR 5 MODULATORS AND METHODS OF USE THEREOF GRM5, GRIK5, GRM2 CHRM2 591/4885CHRM1 665/4885CHRM3 309/4885
US-20050192297-A1 Quinazolinone compounds with reduced bioaccumulation MC4R, MC2R, MC3R CHRM2 79/4885CHRM1 51/4885CHRM3 48/4885

“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.