SCHEMBL4872564

SCHEMBL4872564

CCCN(CCCCN1CCCN(C(=O)c2ccc(OC)cc2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BMP1 P13497 12/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
CHRM2 P08172 1/20 0.36
MMP1 P03956 2/20 0.35
MMP8 P22894 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4877244 0.94 BMP1 (0.37) BMP1CHRM2POLBLMNA
SCHEMBL4872635 0.93 CHRM2 (0.39) BMP1CHRM2HPGDMAPK1HSD17B10
SCHEMBL4873351 0.93 ALDH1A1 (0.35) BMP1DRD2DRD3CHRM2HPGD
SCHEMBL4870423 0.92 NAMPT (0.34) BMP1CHRM2HPGDMAPK1HSD17B10
SCHEMBL4872589 0.89 CHRM5 (0.34) CHRM2HPGDMAPK1HSD17B10LMNA
SCHEMBL4873198 0.89 BMP1 (0.38) BMP1CHRM2POLBMAPK1HSD17B10
SCHEMBL4870472 0.88 KDM4E (0.39) BMP1CHRM2HPGDMAPK1LMNA
SCHEMBL4866705 0.88 L3MBTL1 (0.42) BMP1CHRM2MAPK1LMNASMN1; SMN2
SCHEMBL4875555 0.88 CHRM2 (0.33) CHRM2MAPK1HSD17B10LMNAHTT
SCHEMBL4872624 0.88 LMNA (0.38) CHRM2HPGDMAPK1LMNASMN1; SMN2

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 2490/4885DRD2 175/4885DRD3 166/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 BMP1 2292/4885DRD2 192/4885DRD3 196/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 BMP1 2292/4885DRD2 192/4885DRD3 196/4885

“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.