SCHEMBL4874217

SCHEMBL4874217

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.41
TPSAB1 Q15661 2/20 0.41
TPSD1 Q9BZJ3 2/20 0.41
TPSG1 Q9NRR2 2/20 0.41
LMNA P02545 2/20 0.40
PARP1 P09874 6/20 0.40
AADAT Q8N5Z0 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4876185 0.91 ACKR3 (0.43) ACKR3ALDH1A1MAPTNPC1MAPK1
SCHEMBL4866721 0.87 PARP1 (0.45) ACKR3RAB9ANPC1MAPK1KMT2A
SCHEMBL4874205 0.80 ACKR3 (0.42) ACKR3ALDH1A1KDM4EMAPTRAB9A
SCHEMBL7091825 0.76 LMNA (0.42) RAB9AKMT2ALMNA
SCHEMBL4873305 0.75 PARP1 (0.40) RAB9AKMT2ALMNAPARP1
SCHEMBL7091823 0.74 PTGES (0.45) ACKR3ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4876175 0.71 ACKR3 (0.43) ACKR3ALDH1A1MAPTRAB9ANPC1
SCHEMBL4866709 0.71 PARP1 (0.43) ACKR3MAPTRAB9ANPC1MAPK1
SCHEMBL9372990 0.66 ACKR3 (0.57) ACKR3ALDH1A1KDM4EMAPTRAB9A
SCHEMBL4871334 0.66 KMT2A (0.40) ALDH1A1KDM4ERAB9AKMT2ALMNA

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 106/4885ALDH1A1 2504/4885KDM4E 2261/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ACKR3 131/4885ALDH1A1 1684/4885KDM4E 2601/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ACKR3 131/4885ALDH1A1 1684/4885KDM4E 2601/4885

“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.