SCHEMBL4876175

SCHEMBL4876175

CCCN(CCN1CCCCCC1=O)C(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 5/20 0.43
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 4/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7091823 0.91 PTGES (0.45) ACKR3KMT2AMEN1ALDH1A1TSHR
SCHEMBL4874205 0.91 ACKR3 (0.42) ACKR3KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL4866709 0.84 PARP1 (0.43) ACKR3KMT2AMAPTRAB9ANPC1
SCHEMBL4876185 0.81 ACKR3 (0.43) ACKR3KMT2AMEN1ALDH1A1HTT
SCHEMBL4874000 0.79 KMT2A (0.37) KMT2AMEN1ALDH1A1TSHRL3MBTL1
SCHEMBL4866722 0.78 POLB (0.36) KMT2AMEN1ALDH1A1TSHRL3MBTL1
Hydrochloric Acid SCHEMBL4681798 0.78 ACKR3 (0.47) ACKR3KMT2AMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL4681803 0.78 ACKR3 (0.47) ACKR3KMT2AMEN1ALDH1A1HTT
SCHEMBL4873285 0.77 PARP1 (0.38) KMT2ARAB9ALMNA
SCHEMBL4876330 0.77 POLB (0.37) KMT2AMEN1ALDH1A1TSHRL3MBTL1

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.