SCHEMBL4870459

SCHEMBL4870459

CCN(CCCCN1CCCN(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 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 2/20 0.34
HSD17B10 Q99714 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.32
CNR2 P34972 2/20 0.32
NAMPT P43490 4/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL4877227 0.96 HSD17B10 (0.34) ATMALDH1A1LMNAHSD17B10SMN1; SMN2
SCHEMBL4875210 0.91 ATM (0.36) ATMALDH1A1LMNAHSD17B10GAA
SCHEMBL4870547 0.85 ALDH1A1 (0.33) ATMALDH1A1LMNAHSD17B10GAA
SCHEMBL4875011 0.85 POLB (0.35) LMNA
SCHEMBL4871355 0.83 NMT1 (0.30)
SCHEMBL4894961 0.83 LMNA (0.42) ALDH1A1LMNAGAASMN1; SMN2KDM4E
SCHEMBL4873615 0.81 LMNA (0.34) LMNASMN1; SMN2
SCHEMBL4872986 0.81 LMNA (0.36) ALDH1A1LMNASMN1; SMN2TSHRMAPK1
SCHEMBL4873641 0.81 F2 (0.34) HSD17B10NAMPT
SCHEMBL4872422 0.80 NMT1 (0.34) LMNASMN1; SMN2TSHRMAPK1HTT

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 ATM 3595/4885ALDH1A1 2504/4885LMNA 3315/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ATM 3235/4885ALDH1A1 1684/4885LMNA 3391/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ATM 3235/4885ALDH1A1 1684/4885LMNA 3391/4885

“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.