SCHEMBL144061

SCHEMBL144061

CC[C@@]1(C(=O)O)[C@@H](O)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
GPR119 Q8TDV5 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HPGD P15428 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTSK P43235 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL143165 1.00 CHRM2 (0.38) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL4767709 0.86 CHRM2 (0.38) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL31667788 0.83 NR1H2 (0.37) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL19973886 0.80 MEN1 (0.32) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL4467232 0.78 PPM1D (0.33) CHRM2CHRM1CHRM3GPR119HPGD
SCHEMBL29519744 0.78 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL28735688 0.78 CHRM2 (0.41) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL3166102 0.77 CHRM2 (0.40) CHRM2CHRM1CHRM3GPR119DDB1
SCHEMBL31667812 0.76 ALDH1A1 (0.33) GPR119RECQLUSP2SMN1; SMN2MEN1
SCHEMBL24069211 0.75 CHRM2 (0.44) CHRM2CHRM1CHRM3GPR119DDB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2012-03-08 US disclosed
US-7625909-B2 Substituted quinazolinone compounds NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2009-12-01 US 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 (2 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-20120058989-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS RECQL, BLVRB, NQO2 CHRM2 915/4885CHRM1 508/4885CHRM3 1303/4885
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.