SCHEMBL4875412

SCHEMBL4875412

CC(C)(C)OC(=O)N1CCC(=O)N(CCCC=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
TPSAB1 Q15661 2/20 0.37
TPSD1 Q9BZJ3 2/20 0.37
TPSG1 Q9NRR2 2/20 0.37
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
TGM3 Q08188 1/20 0.37
ALDH1A1 P00352 2/20 0.36
DTYMK P23919 1/20 0.36
TP53 P04637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ESR2 Q92731 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36

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
SCHEMBL734678 0.92 DDB1 (0.44) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL4874324 0.84 DDB1 (0.40) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL4876025 0.81 MEN1 (0.38) DDB1CRBNUSP2SMN1; SMN2TPSAB1
SCHEMBL736072 0.81 HPGD (0.41) DDB1CRBNALDH1A1TP53KMT2A
SCHEMBL1344831 0.81 DDB1 (0.39) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL4872722 0.81 DDB1 (0.38) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL24568430 0.80 ACKR3 (0.45) DDB1CRBNUSP2SMN1; SMN2CHRM2
SCHEMBL1571128 0.80 USP2 (0.43) DDB1CRBNUSP2SMN1; SMN2GPR119
SCHEMBL1583540 0.76 CNR2 (0.40) DDB1CRBNUSP2SMN1; SMN2TPSAB1
SCHEMBL23536559 0.76 PIK3CD (0.47) DDB1CRBNUSP2SMN1; SMN2GPR119

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 18 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-6818645-B2 2-AMINO-TRIHYDROINDOLE OR TETRAHYDRONAPTHALENE-2-YL DERIVATIVES, USEFUL FOR DISEASE STATE ASSOCIATED WITH SMOOTH MUSCLE DISORDERS, SUCH AS GASTROINTESTINAL AND UROGENITAL DISORDERS SYNTEX (U.S.A.) LLC 2004-11-16 US disclosed
EP-1289964-B1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2004-10-20 EP disclosed
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists DVORAK CHARLES ALOIS (US) 2004-05-06 US disclosed
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2004-02-19 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
US-6645958-B2 Oxazepine derivatives; urogenital, gastrointestinal, and respiratory system disorders; antiasthmatic and antiallergen agents SYNTEX (U.S.A.) LLC 2003-11-11 US disclosed
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists WEIKERT ROBERT JAMES (US) 2003-06-12 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
EP-1289964-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-03-12 EP disclosed
US-6500822-B2 MUSCULAR DISORDERS, GASTROINTESTINAL DISORDERS, RESPIRATORY SYSTEM DISORDERS SYNTEX (U.S.A.) LLC 2002-12-31 US disclosed
US-20020004494-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US disclosed
WO-2001090082-A1 SUBSTITUTED 1-AMINOALKYL-LACTAMS AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-29 WO 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 (6 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-20020004494-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 DDB1 4082/4885CRBN 3525/4885USP2 3961/4885
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 DDB1 4082/4885CRBN 3525/4885USP2 3961/4885
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 DDB1 4082/4885CRBN 3525/4885USP2 3961/4885
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 DDB1 4675/4885CRBN 3090/4885USP2 3824/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 DDB1 4617/4885CRBN 3614/4885USP2 4022/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 DDB1 4617/4885CRBN 3614/4885USP2 4022/4885

“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.