SCHEMBL4876025

SCHEMBL4876025

CC(C)(C)OC(=O)N1CCCN(CCCC=O)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
ESR2 Q92731 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.35
NR1H2 P55055 2/20 0.34
MAPK1 P28482 1/20 0.34
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TPSAB1 Q15661 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
SCHEMBL1344831 0.85 DDB1 (0.39) MEN1KMT2AMAPTALDH1A1ESR2
SCHEMBL4875412 0.81 DDB1 (0.42) MEN1KMT2AMAPTALDH1A1ESR2
SCHEMBL1583540 0.81 CNR2 (0.40) MAPTALDH1A1ESR2USP2SMN1; SMN2
SCHEMBL22593100 0.80 NR1H2 (0.38) MEN1KMT2AMAPTALDH1A1ESR2
SCHEMBL1343264 0.78 HRH3 (0.42) MEN1KMT2AHPGDESR2USP2
SCHEMBL18205300 0.77 NR1H2 (0.39) MEN1KMT2AMAPTALDH1A1ESR2
SCHEMBL7982635 0.77 NR1H2 (0.40) MEN1KMT2AMAPTALDH1A1ESR2
SCHEMBL17691085 0.77 DDB1 (0.41) MEN1KMT2AMAPTALDH1A1ESR2
SCHEMBL24072420 0.76 PLA2G2A (0.44) MAPTALDH1A1ESR2USP2SMN1; SMN2
SCHEMBL21520542 0.76 DDB1 (0.39) MEN1KMT2AMAPTALDH1A1ESR2

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 16 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-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

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 MEN1 2577/4885KMT2A 1832/4885MAPT 3997/4885
US-20030109524-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 MEN1 2577/4885KMT2A 1832/4885MAPT 3997/4885
US-20040034018-A1 Benzocycloalkylenylamine derivatives as muscarinic receptor antagonists CHRM2, CHRM1, CHRM4 MEN1 2577/4885KMT2A 1832/4885MAPT 3997/4885
US-20060287293-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM3 MEN1 1954/4885KMT2A 1941/4885MAPT 4142/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885KMT2A 2014/4885MAPT 4292/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MEN1 1892/4885KMT2A 2014/4885MAPT 4292/4885

“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.