SCHEMBL8515216

SCHEMBL8515216

N[C@H](CO)c1ccc(F)c(C(F)F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.36
RPS6KB1 P23443 1/20 0.34
AKT1 P31749 1/20 0.34
ADRA2C P18825 3/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
RXRA P19793 3/20 0.32
GRIN1 Q05586 3/20 0.32
GRIN2B Q13224 3/20 0.32
GBA1 P04062 1/20 0.31
PDE2A O00408 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA2B P18089 2/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
SCN10A Q9Y5Y9 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31

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
SCHEMBL8515222 1.00 DPP4 (0.36) DPP4RPS6KB1AKT1ADRA2CADRA1A
SCHEMBL8511287 0.84 CES2 (0.42) DPP4DPP8PDE2A
SCHEMBL4072121 0.84 CES2 (0.42) DPP4DPP8PDE2A
Hydrochloric Acid SCHEMBL1439632 0.82 CES2 (0.41) DPP4DPP8PDE2A
Hydrochloric Acid SCHEMBL1439060 0.82 CES2 (0.41) DPP4DPP8PDE2A
Hydrochloric Acid SCHEMBL1439055 0.82 CES2 (0.41) DPP4DPP8PDE2A
SCHEMBL18175223 0.81 ANPEP (0.42) DPP4RPS6KB1AKT1ADRA2CADRA1A
SCHEMBL24262071 0.79 AKR1C3 (0.41) PDE2A
SCHEMBL8514568 0.79 TRPV3 (0.38) DPP4AKT1ADRA2CGBA1PDE2A
SCHEMBL5407001 0.79 SLC6A4 (0.42) DPP4DPP8GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2643313-B9 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2017-02-22 EP disclosed
EP-2643313-B1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2016-06-29 EP disclosed
CN-103228649-B Quinazoline methane amide azetidine MERCK PATENT GMBH (DE) 2015-11-25 CN disclosed
US-8946247-B2 Quinazoline carboxamide azetidines MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
EP-2643313-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES Merck Patent GmbH (DE) 2013-10-02 EP disclosed
US-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
CN-103228649-A Quinazoline carboxamide azetidines MERCK PATENT GMBH 2013-07-31 CN disclosed
WO-2012069146-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES MERCK PATENT GMBH (DE) 2012-05-31 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-20130252942-A1 QUINAZOLINE CARBOXAMIDE AZETIDINES AZI2, NQO2, ABL1 DPP4 1055/4885RPS6KB1 1965/4885AKT1 3082/4885

“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.