Sugi Predict

Sugi Predict / Compounds / SCHEMBL4872667

SCHEMBL4872667

SCHEMBL4872667

CCCN(CCCCN1CCCCCC1=O)C(C)Cc1ccc(OS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 7/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SOAT2 O75908 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL4873141 0.93 CYP1A1 (0.41) CYP1A1KMT2AMEN1KDM4EALDH1A1
SCHEMBL4873593 0.93 ADAMTS5 (0.40) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4870299 0.92 SOAT2 (0.40) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4866722 0.92 POLB (0.36) KMT2AMEN1SOAT2SOAT1KDM4E
SCHEMBL4876330 0.91 POLB (0.37) KMT2AMEN1SOAT2SOAT1KDM4E
SCHEMBL4870455 0.90 P2RX7 (0.36) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4876981 0.90 KDM4E (0.38) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4874000 0.90 KMT2A (0.37) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4875897 0.89 SOAT2 (0.38) CYP1A1KMT2AMEN1SOAT2SOAT1
SCHEMBL4876273 0.88 POLB (0.47) CYP1A1KMT2AMEN1KDM4EALDH1A1

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 CYP1A1 372/4885KMT2A 1941/4885MEN1 1954/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP1A1 205/4885KMT2A 2014/4885MEN1 1892/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 CYP1A1 205/4885KMT2A 2014/4885MEN1 1892/4885

“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.