SCHEMBL4871422

SCHEMBL4871422

CCCN(CCCCN1CCCN(C(=O)c2cc(C)on2)CC1=O)C(C)Cc1cccc(S(=O)(=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 2/20 0.35
PLA2G2A P14555 2/20 0.34
CHRM2 P08172 7/20 0.33
CCR5 P51681 4/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
HSD17B10 Q99714 1/20 0.31
NAMPT P43490 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 1/20 0.30
STAT3 P40763 1/20 0.30

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
SCHEMBL4870537 0.89 CHRM2 (0.32) PLA2G2ACHRM2CCR5MAPTHSD17B10
SCHEMBL4870423 0.89 NAMPT (0.34) PLA2G2ACHRM2CCR5RAB9ALMNA
SCHEMBL4872635 0.89 CHRM2 (0.39) CHRM2CCR5RAB9ALMNAMAPT
SCHEMBL4872589 0.89 CHRM5 (0.34) CHRM2CCR5LMNAMAPTHSD17B10
SCHEMBL4873198 0.89 BMP1 (0.38) CHRM2CCR5RAB9ANPC1LMNA
SCHEMBL4875555 0.88 CHRM2 (0.33) PLA2G2ACHRM2CCR5RAB9ALMNA
SCHEMBL4872624 0.88 LMNA (0.38) CHRM2CCR5RAB9ALMNASMN1; SMN2
SCHEMBL4872570 0.87 CHRM2 (0.34) CHRM2CCR5MAPTHSD17B10NAMPT
SCHEMBL4870472 0.87 KDM4E (0.39) CHRM2LMNAMAPTNAMPTSMN1; SMN2
SCHEMBL4872564 0.86 BMP1 (0.39) CHRM2LMNAHSD17B10SMN1; 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 SCD5 914/4885PLA2G2A 2510/4885CHRM2 2/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SCD5 1176/4885PLA2G2A 2156/4885CHRM2 2/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SCD5 1176/4885PLA2G2A 2156/4885CHRM2 2/4885

“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.