SCHEMBL3908258

SCHEMBL3908258

COc1ccccc1C[C@H]1CC[C@@](N)(OC(=O)C(F)(F)F)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
CYP2D6 P10635 4/20 0.38
TSHR P16473 3/20 0.38
USP2 O75604 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3903868 0.73 DRD2 (0.37) GAA
SCHEMBL22362318 0.72 PLG (0.31)
SCHEMBL23091757 0.72 USP2 (0.40) MEN1KMT2AHPGDCYP2D6TSHR
Trifluoroacetic Acid SCHEMBL3908256 0.71 HPGD (0.40) MEN1KMT2AHPGDCYP2D6SMN1; SMN2
Trifluoroacetic Acid SCHEMBL23091756 0.70 USP2 (0.43) MEN1KMT2ACYP2D6TSHRUSP2
SCHEMBL3899229 0.70 CRHR1 (0.44)
SCHEMBL2282246 0.70 CYP2D6 (0.45) MEN1KMT2ACYP2D6TSHRUSP2
SCHEMBL3899529 0.69 ALDH1A1 (0.40) MEN1KMT2AHPGDTSHRUSP2
SCHEMBL23886286 0.69 CYP2D6 (0.53) CYP2D6ALDH1A1
SCHEMBL3898360 0.68 CRHR1 (0.44) TSHRSMN1; SMN2NPSR1

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 MEN1 3442/4885KMT2A 3383/4885HPGD 2751/4885
US-20070232608-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 MEN1 3385/4885KMT2A 3071/4885HPGD 3460/4885
US-20070238728-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS, PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM DPP4, DPP3, DPP7 MEN1 3385/4885KMT2A 3071/4885HPGD 3460/4885

“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.