SCHEMBL898718

SCHEMBL898718

O=C(C[C@@H](O)Cc1cc(F)c(F)cc1F)NOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
DPP7 Q9UHL4 4/20 0.41
DPP8 Q6V1X1 3/20 0.41
DPP9 Q86TI2 2/20 0.41
CYP3A4 P08684 1/20 0.40
EGFR P00533 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
SCHEMBL9986469 1.00 DPP4 (0.45) DPP4NPC1RAB9AHDAC3NCOR2
SCHEMBL6690036 0.88 CYP3A4 (0.41) DPP4NPC1RAB9AHDAC3NCOR2
SCHEMBL11911567 0.83 NPC1 (0.53) NPC1RAB9AHDAC3NCOR2
SCHEMBL9987026 0.81 DPP4 (0.41) DPP4NPC1RAB9AHDAC3NCOR2
SCHEMBL9986355 0.81 DPP4 (0.41) DPP4NPC1RAB9AHDAC3NCOR2
SCHEMBL14550107 0.81 DPP4 (0.50) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL3992005 0.81 DPP4 (0.47) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL11911576 0.79 NPC1 (0.51) NPC1RAB9AHDAC3NCOR2
SCHEMBL9985996 0.78 DPP4 (0.48) DPP4DPP7DPP8DPP9CYP3A4
SCHEMBL9985994 0.78 DPP4 (0.48) DPP4DPP7DPP8DPP9CYP3A4

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023175492-A1 NOVEL INTERMEDIATES AND ITS USE IN MANUFACTURING OF SITAGLIPTIN HIKAL LIMITED (IN) 2023-09-21 WO disclosed
US-10450315-B2 Process for the preparation of dipeptidyl peptidase-4 (DPP-4) enzyme inhibitor LEE PHARMA LIMITED (IN) 2019-10-22 US disclosed
US-20180265513-A1 NOVEL PROCESS FOR THE PREPARATION OF DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME INHIBITOR LEE PHARMA LIMITED (IN) 2018-09-20 US disclosed
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME KYUNG DONG PHARM. CO., LTD. (KR) 2018-03-29 US disclosed
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME KYUNG DONG PHARM. CO., LTD. (KR) 2018-03-29 US disclosed
EP-3242879-A1 NOVEL PROCESS FOR THE PREPARATION OF DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME INHIBITOR Lee Pharma Ltd. (IN) 2017-11-15 EP disclosed
EP-2861598-B1 NEW SYNTHETIC ROUTE FOR THE PREPARATION OF ß-AMINOBUTYRYL SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,4]DIAZOLO[4,3-a]PYRAZIN-7-YL COMPOUNDS LEK PHARMACEUTICALS (SI) 2017-10-25 EP disclosed
WO-2016110750-A1 NOVEL PROCESS FOR THE PREPARATION OF DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME INHIBITOR LEE PHARMA LIMITED (IN) 2016-07-14 WO disclosed
WO-2016110750-A1 NOVEL PROCESS FOR THE PREPARATION OF DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME INHIBITOR LEE PHARMA LIMITED (IN) 2016-07-14 WO disclosed
US-9388188-B2 Synthetic route for the preparation of β-aminobutyryl substituted 5,6,7,8-tetrahydro[1,4]diazolo[4,3-alpha ]pyrazin-7-yl compounds LEK PHARMACEUTICALS D.D. (SI) 2016-07-12 US disclosed
EP-2415753-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE Dong-A Pharmaceutical Co., Ltd. (KR) 2012-02-08 EP disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DONG-A PHARMACEUTICAL. CO., LTD (KR) 2012-01-19 US disclosed
EP-2397141-A1 Process for the synthesis of beta-amino acids and derivatives thereof LEK Pharmaceuticals d.d. (SI) 2011-12-21 EP disclosed
WO-2011049344-A2 METHOD OF PREPARING SITAGLIPTIN AND INTERMEDIATES USED THEREIN HANMI HOLDINGS CO., LTD. (KR) 2011-04-28 WO disclosed
WO-2011040717-A2 METHOD FOR PREPARING INTERMEDIATE OF SITAGLIPTIN USING CHIRAL OXIRANE HANMI HOLDINGS CO., LTD. (KR) 2011-04-07 WO disclosed
WO-2010114291-A2 IMPROVED METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE 동아제약 주식회사 (KR) 2010-10-07 WO disclosed
WO-2010114292-A2 IMPROVED METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE 동아제약 주식회사 (KR) 2010-10-07 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 (5 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-20120016126-A1 METHOD FOR MANUFACTURING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885NPC1 1422/4885RAB9A 3993/4885
US-20180086765-A1 NOVEL INTERMEDIATES FOR PREPARING DPP-IV INHIBITORS, PREPARING METHOD THEREOF AND PREPARING METHOD OF DPP-IV INHIBITORS USING THE SAME DPP4, DPP7, DPP9 DPP4 1/4885NPC1 1507/4885RAB9A 3180/4885
US-20120016125-A1 METHOD FOR PREPARING DIPEPTIDYL PEPTIDASE-IV INHIBITOR AND INTERMEDIATE DPP4, DPP3, DPP7 DPP4 1/4885NPC1 997/4885RAB9A 3651/4885
US-20180265513-A1 NOVEL PROCESS FOR THE PREPARATION OF DIPEPTIDYL PEPTIDASE-4 (DPP-4) ENZYME INHIBITOR DPP4, DPP7, DPP9 DPP4 1/4885NPC1 991/4885RAB9A 2823/4885
US-10450315-B2 Process for the preparation of dipeptidyl peptidase-4 (DPP-4) enzyme inhibitor DPP4, DPP7, DPP3 DPP4 1/4885NPC1 977/4885RAB9A 3207/4885

“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.