SCHEMBL4874304

SCHEMBL4874304

CCN(CCN1CCCCC1=O)C(C)Cc1ccc(OC(F)(F)F)cc1.O=C(O[C@@H](C(=O)O)[C@@H](OC(=O)c1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.37
SLC6A3 Q01959 3/20 0.37
CCR5 P51681 2/20 0.37
TRPV1 Q8NER1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSS P25774 1/20 0.37
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
BACE2 Q9Y5Z0 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.36
LMNA P02545 1/20 0.35
SOAT2 O75908 2/20 0.35
SOAT1 P35610 2/20 0.35
EPHX2 P34913 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
FPR2 P25090 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL4874303 0.89 SLC6A4 (0.38) SLC6A4SLC6A3CCR5TRPV1L3MBTL1
SCHEMBL4872753 0.85 CTSD (0.38) SLC6A4SLC6A3L3MBTL1CTSDBACE1
SCHEMBL4875458 0.77 CYP3A4 (0.43) SLC6A4SLC6A3L3MBTL1LMNAHRH3
SCHEMBL4875572 0.76 CYP3A4 (0.43) SLC6A4SLC6A3L3MBTL1LMNAHRH3
SCHEMBL4874418 0.76 SOAT2 (0.39) SLC6A4SLC6A3LMNASOAT2SOAT1
SCHEMBL4875130 0.76 KMT2A (0.43) SLC6A4SLC6A3L3MBTL1LMNASOAT2
SCHEMBL27578048 0.76 L3MBTL1 (0.43) L3MBTL1ADAMTS5LMNASOAT2SOAT1
SCHEMBL4876429 0.75 SOAT2 (0.40) SLC6A4SLC6A3LMNASOAT2SOAT1
SCHEMBL4872513 0.75 KMT2A (0.45) SLC6A4SLC6A3L3MBTL1LMNAHRH3
SCHEMBL4872440 0.75 LMNA (0.38) L3MBTL1ADAMTS5LMNAHRH3TSHR

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 SLC6A4 990/4885SLC6A3 562/4885CCR5 105/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885SLC6A3 640/4885CCR5 110/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 SLC6A4 880/4885SLC6A3 640/4885CCR5 110/4885

“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.