SCHEMBL4872747

SCHEMBL4872747

CCCN(CCN1CCCCC1=O)C(C)Cc1ccc(OC)cc1.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 3/20 0.38
RCE1 Q9Y256 1/20 0.37
SOAT2 O75908 2/20 0.37
SOAT1 P35610 2/20 0.37
CHRM3 P20309 1/20 0.37
POLB P06746 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
SCHEMBL4872753 0.87 CTSD (0.38) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL4874303 0.85 SLC6A4 (0.38) L3MBTL1LMNASOAT2SOAT1POLB
SCHEMBL4875458 0.81 CYP3A4 (0.43) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MEN1
SCHEMBL4875572 0.81 CYP3A4 (0.43) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MEN1
SCHEMBL4875374 0.80 MTNR1A (0.45) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MEN1
SCHEMBL4872513 0.80 KMT2A (0.45) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL4871432 0.79 SMN1; SMN2 (0.41) ALDH1A1L3MBTL1KMT2ASMN1; SMN2MEN1
SCHEMBL4866667 0.77 LMNA (0.45) ALDH1A1L3MBTL1KMT2AMEN1LMNA
SCHEMBL4679510 0.77 CHRM3 (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL4875116 0.77 ADAMTS5 (0.43) L3MBTL1KMT2AMEN1LMNA

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 7 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
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists SYNTEX (U.S.A.) LLC 2002-01-10 US 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 MAPT 4142/4885ALDH1A1 2504/4885L3MBTL1 2437/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAPT 4292/4885ALDH1A1 1684/4885L3MBTL1 2339/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAPT 4292/4885ALDH1A1 1684/4885L3MBTL1 2339/4885

“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.