SCHEMBL1241036

SCHEMBL1241036

O=C(N[C@H]1CN(C(=O)O)CC[C@@H]1c1cc(F)c(F)cc1F)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.45
DPP7 Q9UHL4 6/20 0.45
KCNH2 Q12809 3/20 0.45
CTSK P43235 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
HSD11B1 P28845 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
CPB1 P15086 2/20 0.42
KDM1A O60341 3/20 0.42
MAOB P27338 2/20 0.42
MAOA P21397 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 2/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40

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
SCHEMBL2240103 0.80 EPHX1 (0.46) DPP4DPP7KCNH2CTSKCTSL
SCHEMBL2816531 0.80 EPHX1 (0.46) DPP4DPP7KCNH2CTSKCTSL
SCHEMBL8262488 0.80 ALDH1A1 (0.44) ALDH1A1GAACPB1KDM1AMAOB
SCHEMBL12767740 0.80 ALDH1A1 (0.44) ALDH1A1GAACPB1KDM1AMAOB
SCHEMBL8206719 0.80 ALDH1A1 (0.44) ALDH1A1GAACPB1KDM1AMAOB
SCHEMBL14845917 0.80 ALDH1A1 (0.44) ALDH1A1GAACPB1KDM1AMAOB
SCHEMBL12891133 0.80 ALDH1A1 (0.44) ALDH1A1GAACPB1KDM1AMAOB
SCHEMBL2856622 0.80 ALDH1A1 (0.53) DPP4DPP7KCNH2CTSKCTSL
SCHEMBL19816607 0.80 CTSK (0.52) DPP4DPP7KCNH2CTSKCTSL
SCHEMBL2856617 0.80 ALDH1A1 (0.53) DPP4DPP7KCNH2CTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884104-B2 Such as (3R,4R)-1-Pyrimidin-4-yl-4-(2,4,5-trifluorophenyl)piperidin-3-amine bis-trifluoroacetic acid salt MERCK SHARP & DOHME CORP. (US) 2011-02-08 US disclosed
EP-1796669-B1 AMINOPIPERIDINES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME (US) 2010-09-22 EP disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 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 (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-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes DPP4, DPP3, DPP7 DPP4 1/4885DPP7 3/4885KCNH2 1324/4885

“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.