SCHEMBL4877244

SCHEMBL4877244

CCCN(CCCCN1CCCN(C(=O)c2cccc(OC)c2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 4/20 0.37
ALDH1A1 P00352 3/20 0.35
CTNNB1 P35222 1/20 0.35
WNT3A P56704 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CHRM2 P08172 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
MCHR1 Q99705 1/20 0.34
LMNA P02545 1/20 0.33
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33

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
SCHEMBL4872564 0.94 BMP1 (0.39) BMP1CHRM2POLBLMNA
SCHEMBL4872635 0.93 CHRM2 (0.39) BMP1ALDH1A1CHRM2PKMLMNA
SCHEMBL4873351 0.92 ALDH1A1 (0.35) BMP1ALDH1A1CHRM2LMNA
SCHEMBL4870423 0.90 NAMPT (0.34) BMP1ALDH1A1CHRM2LMNA
SCHEMBL4866705 0.90 L3MBTL1 (0.42) BMP1ALDH1A1CA12CA1CA2
SCHEMBL4870472 0.89 KDM4E (0.39) BMP1ALDH1A1CHRM2LMNA
SCHEMBL4872589 0.89 CHRM5 (0.34) ALDH1A1CHRM2LMNA
SCHEMBL4875555 0.89 CHRM2 (0.33) ALDH1A1CHRM2LMNA
SCHEMBL4873198 0.88 BMP1 (0.38) BMP1ALDH1A1CHRM2PKMPOLB
SCHEMBL4872624 0.87 LMNA (0.38) ALDH1A1CHRM2LMNA

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 BMP1 2490/4885ALDH1A1 2504/4885CTNNB1 2315/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 BMP1 2292/4885ALDH1A1 1684/4885CTNNB1 2349/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 BMP1 2292/4885ALDH1A1 1684/4885CTNNB1 2349/4885

“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.