SCHEMBL4874295

SCHEMBL4874295

CCCN(CCCCN1CCN(CCc2cccc(C(F)(F)F)c2)CCC1=O)C(C)Cc1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.39
CCR5 P51681 2/20 0.38
KCNH2 Q12809 2/20 0.38
MCHR1 Q99705 1/20 0.38
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
HTR1A P08908 6/20 0.36
HTR2C P28335 2/20 0.36
CCR2 P41597 1/20 0.36
DRD2 P14416 2/20 0.35
HTR2A P28223 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
PTGER4 P35408 1/20 0.34
PTGER2 P43116 1/20 0.34

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
SCHEMBL4876195 0.86 KCNH2 (0.43) LMNASMN1; SMN2MAPTKCNH2ALDH1A1
SCHEMBL4873814 0.85 KCNJ1 (0.39) LMNASMN1; SMN2CCR5KCNH2ALDH1A1
SCHEMBL4875623 0.81 HTR2A (0.39) LMNASMN1; SMN2MAPTUBE2MDCUN1D1
SCHEMBL4874227 0.80 NPC1 (0.34) LMNASMN1; SMN2ALDH1A1HTR2CDRD2
SCHEMBL4876330 0.78 POLB (0.37) MCHR1ALDH1A1
SCHEMBL4865392 0.78 KDM2B (0.35) LMNASMN1; SMN2KCNH2CCR2
SCHEMBL4866722 0.78 POLB (0.36) MCHR1ALDH1A1
SCHEMBL4875574 0.78 MEN1 (0.44) LMNASMN1; SMN2MAPTALDH1A1CCR2
SCHEMBL4870366 0.78 SLC6A4 (0.42) LMNASMN1; SMN2MAPTKCNH2UBE2M
SCHEMBL4875053 0.77 SMN1; SMN2 (0.33) LMNASMN1; SMN2MAPTALDH1A1HTT

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 LMNA 3315/4885SMN1; SMN2 3854/4885MAPT 4142/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885SMN1; SMN2 3754/4885MAPT 4292/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 LMNA 3391/4885SMN1; SMN2 3754/4885MAPT 4292/4885

“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.