SCHEMBL3818324

SCHEMBL3818324

NC1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA3 P07451 2/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA13 Q8N1Q1 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA5B Q9Y2D0 2/20 0.47
MMP1 P03956 2/20 0.47
MMP13 P45452 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
PSEN1 P49768 3/20 0.46
PSEN2 P49810 3/20 0.46
APH1B Q8WW43 3/20 0.46

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
SCHEMBL3415169 0.83 SMN1; SMN2 (0.51) CA1CA2MMP1MMP13MMP2
SCHEMBL6439295 0.82 GAA (0.48) CA1CA2CA12CA9MMP1
SCHEMBL7066058 0.78 USP2 (0.71) CA1CA2MMP1MMP13MMP2
SCHEMBL372761 0.78 PLAU (0.51) CA1CA2CA12CA3CA4
SCHEMBL3198127 0.76 PLAU (0.52) CA1CA2CA12CA3CA4
SCHEMBL3189631 0.74 USP2 (0.47) CA1CA2MMP1MMP13MMP2
SCHEMBL380163 0.71 OPRM1 (0.43) CA1CA2CA12CA3CA4
SCHEMBL2164002 0.69 CA1 (0.61) CA1CA2CA12CA3CA4
SCHEMBL30724549 0.69 CA1 (0.61) CA1CA2CA12CA3CA4
SCHEMBL6926687 0.68 CA2 (0.67) CA1CA2CA12CA3CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1296974-B1 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2009-08-05 EP disclosed
EP-1296974-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS Novartis AG (CH) 2003-04-02 EP disclosed
US-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV VILLHAUER EDWIN BERNARD (US) 2002-12-19 US disclosed
US-6432969-B1 NON-INSULIN DEPENDENT DIABETES, OBESITY, ARTHRITIS, AND OSTEOPOROSIS TREATMENT NOVARTIS AG (CH) 2002-08-13 US disclosed
WO-2001096295-A2 2-CYANOPYRROLIDINE DERIVATIVES AND THEIR USE AS MEDICAMENTS NOVARTIS AG (CH) 2001-12-20 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 (1 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-20020193390-A1 Pharmaceutical compositions containing an N-(substituted glycyl)-2- cyanopyrrolidine and at least one other antidiabetic agent and their use in inhibiting dipeptidyl peptidase-IV DPP4, DPP9, DPP7 CA1 682/4885CA2 131/4885CA12 1264/4885

“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.