SCHEMBL3898665

SCHEMBL3898665

NC(=O)[C@@H]1CCCN1C[C@H]1CC[C@H](N)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.38
F2 P00734 8/20 0.36
CNR2 P34972 4/20 0.36
CNR1 P21554 3/20 0.36
POLB P06746 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
SCN3A Q9NY46 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
LMNA P02545 1/20 0.33
PRSS1 P07477 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL3898662 1.00 HSD11B1 (0.38) HSD11B1F2CNR2CNR1POLB
SCHEMBL9152632 0.87 CNR2 (0.43) HSD11B1CNR2CNR1POLBSPHK1
SCHEMBL9152644 0.87 CNR2 (0.43) HSD11B1CNR2CNR1POLBSPHK1
SCHEMBL15211535 0.82 LTA4H (0.42) HSD11B1F2CNR2CNR1POLB
SCHEMBL7679006 0.82 CNR2 (0.44) HSD11B1CNR2CNR1POLBSPHK1
SCHEMBL7024082 0.82 CNR2 (0.44) HSD11B1CNR2CNR1POLBSPHK1
SCHEMBL12820072 0.81 HSD11B1 (0.38) HSD11B1CNR2CNR1POLBSPHK1
SCHEMBL15212087 0.80 ALDH1A1 (0.42) HSD11B1CNR2CNR1POLB
SCHEMBL13284759 0.76 HSD11B1 (0.56) HSD11B1CNR2CNR1POLBSPHK1
SCHEMBL10216435 0.76 HSD11B1 (0.36) HSD11B1F2CNR2CNR1POLB

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
EP-1799639-B1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESS FOR THEIR PREPARATION GLENMARK PHARMACEUTICALS SA (CH) 2013-09-04 EP disclosed
US-7538128-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-05-26 US disclosed
US-7524844-B2 Dipeptidyl peptidase IV inhibitors, process for their preparation and compositions containing them GLENMARK PHARMACEUTICALS S.A. (CH) 2009-04-28 US disclosed
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-11 US disclosed
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS S.A. (CH) 2007-10-04 US disclosed
US-7205323-B2 Dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2007-04-17 US disclosed
US-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation GLENMARK PHARMACETUCALS, S.A. 2006-06-29 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-20060142585-A1 Novel dipeptidyl peptidase IV inhibitors pharmaceutical compositions containing them, and process for their preparation DPP4, DPP3, DPP7 HSD11B1 706/4885F2 2117/4885CNR2 4650/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HSD11B1 727/4885F2 2856/4885CNR2 4808/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 HSD11B1 727/4885F2 2856/4885CNR2 4808/4885

“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.