Sugi Predict

Sugi Predict / Compounds / SCHEMBL4866690

SCHEMBL4866690

SCHEMBL4866690

CCCN(CCCCN1CCCN(C(=O)CCc2ccccc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 3/20 0.40
▸ TSHR P16473 1/20 0.38
▸ ALDH1A1 P00352 8/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.35
▸ NAAA Q02083 1/20 0.35
▸ USP2 O75604 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
SCHEMBL4869982 0.92 ADAMTS5 (0.37) GAATSHRALDH1A1ADAMTS5
SCHEMBL4875263 0.91 PLA2G2A (0.34) GAAALDH1A1MAPTHPGDADAMTS5
SCHEMBL4874189 0.90 PTGS2 (0.33) GAAALDH1A1MAPTADAMTS5
SCHEMBL6982001 0.89 ADAMTS5 (0.34) ALDH1A1ADAMTS5
SCHEMBL4866765 0.88 LMNA (0.38) ALDH1A1MAPTHPGDLMNAADAMTS5
SCHEMBL4872685 0.87 PTGS2 (0.33) ALDH1A1ADAMTS5
SCHEMBL4872796 0.86 RORC (0.38) GAATSHRALDH1A1MAPTHPGD
SCHEMBL4870404 0.85 EPHX2 (0.34) GAATSHRALDH1A1ADAMTS5
SCHEMBL4866661 0.85 GPR119 (0.33) GAAALDH1A1POLBADAMTS5KMT2A
SCHEMBL4875402 0.85 PLA2G2A (0.32) GAAALDH1A1ADAMTS5

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 GAA 4460/4885TSHR 146/4885ALDH1A1 2504/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 GAA 4250/4885TSHR 120/4885ALDH1A1 1684/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 GAA 4250/4885TSHR 120/4885ALDH1A1 1684/4885

“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.