SCHEMBL4865388

SCHEMBL4865388

CCCN(CCCCN1CCN(C(=O)Oc2ccccc2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 3/20 0.39
GPR119 Q8TDV5 1/20 0.38
FAAH O00519 2/20 0.36
MGLL Q99685 2/20 0.36
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
ITGB1 P05556 5/20 0.35
ITGA4 P13612 5/20 0.35
ITGB7 P26010 5/20 0.35
CYP2D6 P10635 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
TSHR P16473 1/20 0.33
RORC P51449 1/20 0.33

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
SCHEMBL4876417 0.90 GPR119 (0.39) GPR119
SCHEMBL4875551 0.90 CHRM2 (0.36) TSHR
SCHEMBL7083990 0.89 ADAMTS5 (0.33) ADAMTS5RORC
SCHEMBL4872361 0.89 GPR119 (0.33) GPR119CYP2D6TSHR
SCHEMBL4870335 0.88 GPR119 (0.36) GPR119
SCHEMBL4870274 0.88 GPR119 (0.36) GPR119CYP2D6TSHR
SCHEMBL4874334 0.88 GPR119 (0.44) GPR119
SCHEMBL4876421 0.88 GPR119 (0.44) GPR119
SCHEMBL4875582 0.88 CCR5 (0.36) ADAMTS5RORC
SCHEMBL4876247 0.87 ADAMTS5 (0.34) ADAMTS5TSHRRORC

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 NPY2R 205/4885GPR119 184/4885FAAH 1625/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NPY2R 287/4885GPR119 204/4885FAAH 1270/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 NPY2R 287/4885GPR119 204/4885FAAH 1270/4885

“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.