SCHEMBL4877227

SCHEMBL4877227

CCN(CCCCN1CCN(S(=O)(=O)c2cccnc2)CC1=O)C(C)Cc1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.34
CNR2 P34972 2/20 0.33
NAMPT P43490 2/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD11B1 P28845 2/20 0.32
ADRB2 P07550 5/20 0.32
ADRB1 P08588 5/20 0.32
ADRB3 P13945 5/20 0.32
ALDH1A1 P00352 1/20 0.32
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL4870459 0.96 ATM (0.34) HSD17B10CNR2NAMPTLMNAATM
SCHEMBL4894961 0.87 LMNA (0.42) CNR2NAMPTLMNAMEN1KMT2A
SCHEMBL4875210 0.86 ATM (0.36) HSD17B10CNR2NAMPTLMNAATM
SCHEMBL4873641 0.85 F2 (0.34) HSD17B10NAMPT
SCHEMBL4873615 0.84 LMNA (0.34) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4872422 0.83 NMT1 (0.34) LMNAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL4870547 0.81 ALDH1A1 (0.33) HSD17B10NAMPTLMNAATMSMN1; SMN2
SCHEMBL4875011 0.81 POLB (0.35) LMNAMAPT
SCHEMBL4872986 0.79 LMNA (0.36) LMNAMEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL4871355 0.79 NMT1 (0.30)

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 HSD17B10 2354/4885CNR2 38/4885NAMPT 1043/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HSD17B10 2251/4885CNR2 28/4885NAMPT 1086/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 HSD17B10 2251/4885CNR2 28/4885NAMPT 1086/4885

“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.