SCHEMBL4875154

SCHEMBL4875154

CCN(CCCCN1CCCN(C(=O)c2cccnc2)CC1=O)C(C)Cc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MMP13 P45452 2/20 0.39
KMT2A Q03164 2/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP7 P09237 1/20 0.39
MMP9 P14780 1/20 0.39
CYP3A4 P08684 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
ADRB2 P07550 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL4869924 0.92 HRH3 (0.42) ALDH1A1MMP13KMT2AMMP1MMP9
SCHEMBL4870443 0.85 MAPK1 (0.37) ALDH1A1KMT2ACYP3A4ADRB2TSHR
SCHEMBL4866706 0.80 MAPK1 (0.42) ALDH1A1KMT2ACYP3A4TSHRLMNA
SCHEMBL4870472 0.78 KDM4E (0.39) ALDH1A1MMP13KMT2ATSHRLMNA
SCHEMBL4873926 0.77 MMP1 (0.38) ALDH1A1MMP1MMP3MMP7MMP9
SCHEMBL4875482 0.77 CYP3A4 (0.41) ALDH1A1CYP3A4DRD2DRD3ADRB2
SCHEMBL4866765 0.76 LMNA (0.38) ALDH1A1KMT2AHRH3LMNA
SCHEMBL4863231 0.76 CYP3A4 (0.48) ALDH1A1KMT2ACYP3A4DRD2DRD3
SCHEMBL4875210 0.75 ATM (0.36) ALDH1A1TSHRLMNANAMPT
SCHEMBL4872564 0.75 BMP1 (0.39) MMP1DRD2DRD3LMNAPOLB

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 ALDH1A1 2504/4885MMP13 2509/4885KMT2A 1941/4885
US-20020004501-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ALDH1A1 1684/4885MMP13 2853/4885KMT2A 2014/4885
US-20040087581-A1 Heterocyclylalkylamines as muscarinic receptor antagonists CHRM5, CHRM2, CHRM1 ALDH1A1 1684/4885MMP13 2853/4885KMT2A 2014/4885

“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.