SCHEMBL4871404

SCHEMBL4871404

C[C@@H]1NC(=O)OC1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CETP P11597 1/20 0.43
NR1I2 O75469 1/20 0.43
SCN5A Q14524 1/20 0.43
ESR1 P03372 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
GRM5 P41594 3/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
DAO P14920 3/20 0.37
HTR2C P28335 2/20 0.37

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
SCHEMBL4871394 1.00 CETP (0.43) CETPNR1I2SCN5AESR1MEN1
SCHEMBL4871396 1.00 CETP (0.43) CETPNR1I2SCN5AESR1MEN1
SCHEMBL4866832 0.85 TNKS2 (0.45) CETPNR1I2SCN5AALDH1A1MAPT
SCHEMBL6185164 0.85 TNKS2 (0.45) CETPNR1I2SCN5AALDH1A1MAPT
SCHEMBL531518 0.84 CETP (0.48) CETPNR1I2SCN5AGRM5DAO
SCHEMBL531605 0.84 CETP (0.48) CETPNR1I2SCN5AGRM5DAO
SCHEMBL531606 0.84 CETP (0.48) CETPNR1I2SCN5AGRM5DAO
SCHEMBL532586 0.84 CETP (0.48) CETPNR1I2SCN5AGRM5DAO
SCHEMBL531329 0.84 CETP (0.48) CETPNR1I2SCN5AGRM5DAO
SCHEMBL531344 0.84 CETP (0.48) CETPNR1I2SCN5AGRM5DAO

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-7361648-B2 Heterocyclylakylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC (US) 2008-04-22 US disclosed
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists ROCHE PALO ALTO LLC 2006-12-21 US disclosed
US-7094778-B2 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC (US) 2006-08-22 US disclosed
EP-1289965-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-10-26 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-6667301-B2 Therapy for muscular disorders, urogenital disorders, gastrointestinal disorders, respiratory system disorders SYNTEX (U.S.A.) LLC 2003-12-23 US disclosed
EP-1289965-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
WO-2001090081-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 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-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 CETP 4068/4885NR1I2 94/4885SCN5A 68/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CETP 4061/4885NR1I2 76/4885SCN5A 97/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CETP 4061/4885NR1I2 76/4885SCN5A 97/4885

“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.