SCHEMBL4866832

SCHEMBL4866832

C[C@@H]1NC(=O)O[C@H]1c1ccc(C(C)(C)C)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 2/20 0.45
TNKS O95271 1/20 0.45
PARP3 Q9Y6F1 1/20 0.45
DAO P14920 1/20 0.38
CETP P11597 1/20 0.36
NR1I2 O75469 1/20 0.36
SCN5A Q14524 1/20 0.36
GRM5 P41594 4/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
MGLL Q99685 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NOTUM Q6P988 1/20 0.34

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
SCHEMBL6185164 1.00 TNKS2 (0.45) TNKS2TNKSPARP3DAOCETP
SCHEMBL4871394 0.85 CETP (0.43) DAOCETPNR1I2SCN5AGRM5
SCHEMBL4871396 0.85 CETP (0.43) DAOCETPNR1I2SCN5AGRM5
SCHEMBL4871404 0.85 CETP (0.43) DAOCETPNR1I2SCN5AGRM5
SCHEMBL11099684 0.81 MAPT (0.42) TNKS2GRM5MAPTALDH1A1
SCHEMBL9671149 0.81 MAPT (0.42) TNKS2GRM5MAPTALDH1A1
SCHEMBL11099686 0.81 MAPT (0.42) TNKS2GRM5MAPTALDH1A1
SCHEMBL338191 0.80 GRM5 (0.49) GRM5
SCHEMBL6374631 0.80 GRM5 (0.49) GRM5
SCHEMBL8192290 0.80 GRM5 (0.49) GRM5

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 TNKS2 4010/4885TNKS 4234/4885PARP3 2831/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TNKS2 4241/4885TNKS 4007/4885PARP3 3007/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TNKS2 4241/4885TNKS 4007/4885PARP3 3007/4885

“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.