SCHEMBL4876185

SCHEMBL4876185

CCC(CCN1CCCCCC1=O)NC(C)Cc1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 4/20 0.41
HTT P42858 2/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
RECQL P46063 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PARP1 P09874 3/20 0.38

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
SCHEMBL4874217 0.91 ACKR3 (0.42) ACKR3KMT2AALDH1A1MAPTNPC1
SCHEMBL4866721 0.84 PARP1 (0.45) ACKR3KMT2ANPC1MAPK1LMNA
SCHEMBL4876175 0.81 ACKR3 (0.43) ACKR3KMT2AMEN1ALDH1A1HTT
SCHEMBL4873305 0.77 PARP1 (0.40) KMT2ALMNAPARP1
SCHEMBL7091825 0.74 LMNA (0.42) KMT2AL3MBTL1LMNA
SCHEMBL4872680 0.73 KMT2A (0.37) KMT2AMEN1ALDH1A1HTTMAPT
SCHEMBL7091823 0.72 PTGES (0.45) ACKR3KMT2AMEN1ALDH1A1TSHR
SCHEMBL4874205 0.71 ACKR3 (0.42) ACKR3KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4866709 0.69 PARP1 (0.43) ACKR3KMT2AMAPTNPC1MAPK1
SCHEMBL4875904 0.68 SOAT2 (0.39) KMT2AMEN1ALDH1A1L3MBTL1MAPT

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 ACKR3 106/4885KMT2A 1941/4885MEN1 1954/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ACKR3 131/4885KMT2A 2014/4885MEN1 1892/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ACKR3 131/4885KMT2A 2014/4885MEN1 1892/4885

“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.