SCHEMBL4875520

SCHEMBL4875520

CCN(CCCCN1CCCN(S(=O)(=O)c2cn(C)cn2)CC1=O)C(C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.35
GRM2 Q14416 1/20 0.35
POLB P06746 3/20 0.34
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A9 P48067 2/20 0.31
MMP3 P08254 1/20 0.30
MMP9 P14780 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
SCHEMBL4875011 0.89 POLB (0.35) TP53GRM2POLBLMNAPKM
SCHEMBL4873926 0.86 MMP1 (0.38) TP53POLBLMNAPKMMMP3
SCHEMBL4868934 0.85 MEN1 (0.31) MEN1NPC1KMT2A
SCHEMBL4870427 0.85 TP53 (0.35) TP53GRM2POLBLMNAPKM
SCHEMBL4873615 0.85 LMNA (0.34) TP53POLBLMNAPKMMEN1
SCHEMBL4875529 0.83 TP53 (0.37) TP53GRM2POLBLMNAPKM
SCHEMBL4874248 0.82 LMNA (0.41) POLBLMNAPKMSLC6A9
SCHEMBL4875410 0.79 MEN1 (0.41) TP53LMNAMEN1NPC1KMT2A
SCHEMBL4875568 0.79 MEN1 (0.41) TP53LMNAMEN1NPC1KMT2A
SCHEMBL4870323 0.77 CYP2D6 (0.35) LMNAMEN1KMT2A

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 TP53 2501/4885GRM2 198/4885POLB 4496/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TP53 2540/4885GRM2 168/4885POLB 4520/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 TP53 2540/4885GRM2 168/4885POLB 4520/4885

“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.