SCHEMBL3818211

SCHEMBL3818211

N#C[C@@H]1CCCN1C(=O)CNC1CCC(Nc2nc3ccccc3s2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 1.00
DPP8 Q6V1X1 3/20 0.59
DPP7 Q9UHL4 3/20 0.59
DPP9 Q86TI2 2/20 0.55
PREP P48147 3/20 0.51
FAP Q12884 1/20 0.51

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
SCHEMBL3818215 1.00 DPP4 (1.00) DPP4DPP8DPP7DPP9PREP
SCHEMBL3812156 0.88 DPP4 (0.78) DPP4DPP8DPP7DPP9PREP
SCHEMBL3812162 0.88 DPP4 (0.78) DPP4DPP8DPP7DPP9PREP
SCHEMBL4593899 0.82 DPP4 (0.70) DPP4DPP8DPP7
SCHEMBL664217 0.82 DPP4 (0.70) DPP4DPP8DPP7
Hydrochloric Acid SCHEMBL6701343 0.81 DPP4 (0.69) DPP4DPP8DPP7
SCHEMBL663691 0.80 DPP4 (0.67) DPP4DPP8DPP7DPP9
SCHEMBL4594622 0.80 DPP4 (0.67) DPP4DPP8DPP7DPP9
Hydrochloric Acid SCHEMBL3195551 0.76 DPP4 (0.97) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL3195546 0.76 DPP4 (0.97) DPP4DPP8DPP9

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 DPP4 1/4885DPP8 6/4885DPP7 3/4885

“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.