Sugi Predict

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SCHEMBL4874473

SCHEMBL4874473

CCN(CCCCN1CCN(S(=O)(=O)CCN(C)Cc2ccccc2)CC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ ACHE P22303 5/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ RECQL P46063 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL4863296 0.95 CYP2D6 (0.36) MAOBSIGMAR1ACHECYP2D6RECQL
SCHEMBL4870439 0.90 LMNA (0.31) CYP2D6LMNA
SCHEMBL4870208 0.88 ACHE (0.31) ACHECYP2D6LMNA
SCHEMBL4871446 0.88 CCR5 (0.35) SIGMAR1ACHECYP2D6ALDH1A1GAA
SCHEMBL4874460 0.87 ACHE (0.33) SIGMAR1ACHECYP2D6ALDH1A1GAA
SCHEMBL4873613 0.86 LMNA (0.31) CYP2D6LMNA
SCHEMBL7200643 0.86 PKM (0.33) SIGMAR1ACHEALDH1A1GAAHSD17B10
SCHEMBL4873767 0.86 NMT1 (0.33) CYP2D6ALDH1A1
SCHEMBL4863216 0.85 L3MBTL1 (0.30) —
SCHEMBL4874284 0.85 CCR2 (0.33) SIGMAR1

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 6 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
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 MAOB 570/4885SIGMAR1 59/4885ACHE 174/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAOB 515/4885SIGMAR1 32/4885ACHE 137/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 MAOB 515/4885SIGMAR1 32/4885ACHE 137/4885

“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.