SCHEMBL4872796

SCHEMBL4872796

CCCN(CCCCN1CCCN(C(=O)Nc2ccccc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.38
FAAH O00519 3/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NAMPT P43490 3/20 0.36
CYP1A2 P05177 1/20 0.35
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.35
SOAT2 O75908 1/20 0.34
SOAT1 P35610 1/20 0.34
EPHX2 P34913 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL4875402 0.90 PLA2G2A (0.32) RORCALDH1A1GAAADAMTS5RAB9A
SCHEMBL4870404 0.90 EPHX2 (0.34) RORCALDH1A1GAATSHRADAMTS5
SCHEMBL4876934 0.89 PLA2G2A (0.32) RORCALDH1A1TSHRADAMTS5NAMPT
SCHEMBL6982001 0.89 ADAMTS5 (0.34) RORCALDH1A1ADAMTS5CA12CA1
SCHEMBL4870412 0.88 NPSR1 (0.35) ALDH1A1TSHRADAMTS5TP53MAPT
SCHEMBL4866765 0.88 LMNA (0.38) ALDH1A1ADAMTS5MAPTLMNAHPGD
SCHEMBL4869982 0.88 ADAMTS5 (0.37) RORCKDM4EALDH1A1GAATSHR
SCHEMBL4874326 0.88 EPHX2 (0.37) ALDH1A1TSHRNAMPTEPHX2CA12
SCHEMBL4872685 0.87 PTGS2 (0.33) RORCALDH1A1ADAMTS5
SCHEMBL4866661 0.87 GPR119 (0.33) ALDH1A1GAAADAMTS5CTSKRAB9A

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 RORC 499/4885FAAH 1625/4885KDM4E 2261/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RORC 649/4885FAAH 1270/4885KDM4E 2601/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 RORC 649/4885FAAH 1270/4885KDM4E 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.