SCHEMBL4866931

SCHEMBL4866931

CCN(CCCCN1CCN(C(=O)C2CCC2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.35
CCR5 P51681 3/20 0.34
RORC P51449 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
MCHR1 Q99705 1/20 0.34
TBXA2R P21731 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
SCHEMBL4866720 0.98 ALDH1A1 (0.37) CCR5RORCALDH1A1CA12CA1
SCHEMBL4875247 0.88 CYP3A4 (0.34) CCR5ALDH1A1
SCHEMBL4872326 0.88 CYP3A4 (0.34) CCR5ALDH1A1MCHR1
SCHEMBL4870213 0.88 CYP3A4 (0.33) CCR5ALDH1A1MCHR1
SCHEMBL4876887 0.88 SIRT2 (0.36) CCR5ALDH1A1MCHR1
SCHEMBL4877377 0.88 KMT2A (0.34) L3MBTL1CCR5ALDH1A1MCHR1
SCHEMBL4876913 0.86 CHRM1 (0.36) ALDH1A1
SCHEMBL4874299 0.85 AKR1C3 (0.44) L3MBTL1ALDH1A1
SCHEMBL4873591 0.85 LMNA (0.43) ALDH1A1CA12CA1CA2CA9
SCHEMBL4870318 0.85 CYP3A4 (0.35) CCR5RORCALDH1A1

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 L3MBTL1 2437/4885CCR5 105/4885RORC 499/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885CCR5 110/4885RORC 649/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 L3MBTL1 2339/4885CCR5 110/4885RORC 649/4885

“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.