SCHEMBL5155983

SCHEMBL5155983

COc1ccc2cc(S(=O)(=O)N[C@H](CC(=O)N[C@H](Cc3ccc(CN4[C@H](C)CCC[C@@H]4C)cc3)C(=O)N(C)C(C)C)c3ccc4c(c3)OCO4)ccc2c1

nearest known ligand 0.99

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.99
CHRM5 P08912 1/20 0.99
ADRA2C P18825 1/20 0.99
S1PR1 P21453 1/20 0.99
FPR1 P21462 1/20 0.99
C5AR1 P21730 1/20 0.99
GPR183 P32249 1/20 0.99
APLNR P35414 1/20 0.99
OPRK1 P41145 1/20 0.99
GLP1R P43220 1/20 0.99
CX3CR1 P49238 1/20 0.99
TMEM97 Q5BJF2 1/20 0.99
ADGRF1 Q5T601 1/20 0.99
GPR65 Q8IYL9 1/20 0.99
GPR119 Q8TDV5 1/20 0.99
SIGMAR1 Q99720 1/20 0.99
GPR35 Q9HC97 1/20 0.99
HRH3 Q9Y5N1 1/20 0.99
BDKRB1 P46663 5/20 0.48
F2 P00734 10/20 0.47

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
SCHEMBL1713111 1.00 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5231688 1.00 CHRM2 (0.99) CHRM2CHRM5ADRA2CS1PR1FPR1
Hydrochloric Acid SCHEMBL2358624 0.99 CHRM2 (1.00) CHRM2CHRM5ADRA2CS1PR1FPR1
Hydrochloric Acid SCHEMBL29419935 0.99 CHRM2 (1.00) CHRM2CHRM5ADRA2CS1PR1FPR1
Fumaric Acid SCHEMBL5148833 0.96 CHRM2 (0.92) CHRM2CHRM5ADRA2CS1PR1FPR1
Fumaric Acid SCHEMBL5148843 0.96 CHRM2 (0.92) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL13984982 0.91 CHRM2 (0.82) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5151119 0.90 CHRM2 (0.81) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5230609 0.90 CHRM2 (0.81) CHRM2CHRM5ADRA2CS1PR1FPR1
SCHEMBL5154396 0.89 CHRM2 (0.79) CHRM2CHRM5ADRA2CS1PR1FPR1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP claimed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US claimed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 US claimed
US-20120202744-A1 DUAL ANTAGONISM OF ENDOTHELIN TYPE A AND BRADYKININ B1 RECEPTORS FOR TREATING PAIN AND PREVENTING CARTILAGE DEGRADATION MOLDOVAN FLORINA (CA) 2012-08-09 US disclosed
WO-2010031577-A1 USE OF BRADYKININ B1 RECEPTOR ANTAGONISTS IN INTESTINAL FIBROSIS TREATMENT JERINI AG (DE) 2010-03-25 WO disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
US-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction JERINI AG (DE) 2008-09-11 US disclosed
EP-1373233-B1 DERIVATIVES OF N-(ARYLSULFONYL)BETA-AMINOACIDS COMPRISING A SUBSTITUTED AMINOMETHYL GROUP, THE PREPARATION METHOD THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI AVENTIS (FR) 2007-09-05 EP disclosed
WO-2007003411-A2 KININ ANTAGONISTS FOR TREATING BLADDER DYSFUNCTION JERINI AG (DE) 2007-01-11 WO disclosed
EP-1741444-A1 Kinin antagonists for treating bladder dysfunction Jerini AG (DE) 2007-01-10 EP disclosed
US-7157454-B2 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI-AVENTIS (FR) 2007-01-02 US disclosed
US-20040116353-A1 Derivatives of n-(arylsulfonyl)beta-aminoacids comprising a substituted aminomethyl group, the preparation method thereof and the pharmaceutical compositions containing same SANOFI (FR) 2004-06-17 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 (2 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-20080221039-A1 Kinin Antagonists For Treating Bladder Dysfunction BDKRB2, BDKRB1, F2R CHRM2 391/4885CHRM5 438/4885ADRA2C 268/4885
US-20120202744-A1 DUAL ANTAGONISM OF ENDOTHELIN TYPE A AND BRADYKININ B1 RECEPTORS FOR TREATING PAIN AND PREVENTING CARTILAGE DEGRADATION BDKRB1, BDKRB2, EDNRB CHRM2 682/4885CHRM5 1495/4885ADRA2C 784/4885

“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.