SCHEMBL6952090

SCHEMBL6952090

CN(C(=O)OC(C)(C)C)C(Cc1ccc(C#N)cc1)C(=O)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.46
FPR1 P21462 4/20 0.44
FPR2 P25090 4/20 0.44
DPP4 P27487 4/20 0.41
DPP8 Q6V1X1 2/20 0.41
FAP Q12884 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
P2RX7 Q99572 3/20 0.40
GPR119 Q8TDV5 3/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL5745936 0.86 P2RX7 (0.48) ADORA1DPP4P2RX7GPR119
SCHEMBL5747565 0.86 P2RX7 (0.48) ADORA1DPP4P2RX7GPR119
SCHEMBL6952234 0.83 MAOB (0.44) ADORA1MAOB
SCHEMBL7984259 0.79 TSHR (0.47)
SCHEMBL5155529 0.77 FPR2 (0.59) FPR1FPR2P2RX7
SCHEMBL6767381 0.77 FPR2 (0.59) FPR1FPR2P2RX7
SCHEMBL5151249 0.77 FPR2 (0.59) FPR1FPR2P2RX7
SCHEMBL7310586 0.77 TSHR (0.45) FPR2DPP7
SCHEMBL7304921 0.77 FPR2 (0.60) FPR1FPR2P2RX7
SCHEMBL10420634 0.77 FPR2 (0.60) FPR1FPR2P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610882-B2 Affinity for bradykinin receptors; antithrombotics SANOFI-SYNTHELABO (FR) 2003-08-26 US disclosed
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2003-04-17 US disclosed
US-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2002-08-22 US disclosed
US-6433185-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS SANOFI-SYNTHELABO (FR) 2002-08-13 US disclosed
US-6313120-B1 TREATMENT OR PREVENTION OF DISEASES INVOLVING BRADYKININ RECEPTORS SANOFI-SYNTHELABO (FR) 2001-11-06 US disclosed
EP-0877737-B1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI SYNTHELABO (FR) 2001-08-01 EP disclosed
US-6100278-A COMPOUNDS HAVING AFFINITY FOR BRADYKININ RECEPTORS; ANTIINFLAMMATORY AGENTS SANOFI-SYNTHELABO (FR) 2000-08-08 US disclosed
US-6015812-A N-(arylsulphonyl)amino acid derivatives having bradykinin receptor affinity SANOFI-SYNTHELABO (FR) 2000-01-18 US disclosed
EP-0877737-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1998-11-18 EP disclosed
WO-1997025315-A1 NOVEL N-(ARYLSULPHONYL)AMINO ACID DERIVATIVES HAVING BRADYKININ RECEPTOR AFFINITY SANOFI (FR) 1997-07-17 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 (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-20020115685-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D ADORA1 19/4885FPR1 31/4885FPR2 219/4885
US-20030073641-A1 Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them CYP2C9, ADRM1, ADRA1D ADORA1 19/4885FPR1 31/4885FPR2 219/4885

“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.