SCHEMBL2298094

SCHEMBL2298094

COC(=O)[C@H]1CN1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
MMP2 P08253 4/20 0.43
KMT2A Q03164 1/20 0.43
ANPEP P15144 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 1/20 0.41
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL992573 1.00 KCNN4 (0.43) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL992574 1.00 KCNN4 (0.43) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL6036541 0.89 KIF11 (0.39) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL29276034 0.87 MMP2 (0.41) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL26062663 0.87 MMP2 (0.41) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL31696759 0.87 MMP2 (0.41) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL5200976 0.87 MMP2 (0.41) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL3548775 0.87 MMP2 (0.41) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL3548773 0.87 MMP2 (0.41) KCNN4MMP2KMT2AANPEPCYP1A2
SCHEMBL6399801 0.86 NR1H2 (0.46) MMP2ANPEPCYP1A2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-11-06 US disclosed
EP-4504739-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2025-02-12 EP disclosed
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
CN-109928971-B Aryl substituted aminotetrahydropyrans and uses thereof 广东东阳光药业股份有限公司 2024-01-16 CN disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
WO-2023196429-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-10-12 WO disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
WO-2023107487-A1 LONP1 INHIBITOR COMPOUNDS, USES AND METHODS PRETZEL THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
US-8030315-B2 DPP-IV inhibitor including beta-amino group, preparation method thereof and pharmaceutical composition containing the same for preventing and treating diabetes or obesity DONG-A PHARM. CO., LTD. (KR) 2011-10-04 US disclosed
US-8030315-B2 DPP-IV inhibitor including beta-amino group, preparation method thereof and pharmaceutical composition containing the same for preventing and treating diabetes or obesity DONG-A PHARM. CO., LTD. (KR) 2011-10-04 US disclosed
US-20110201624-A1 Pharmaceutical Composition for Prevention and Treatment of Diabetes or Obesity Comprising a Compound that Inhibits Activity of Dipeptidyl Peptidase-IV, and other Antidiabetic or Antiobesity Agents as Active Ingredients DONG-A PHARMACEUTICAL. CO., LTD (KR) 2011-08-18 US disclosed
EP-2351567-A2 PHARMACEUTICAL COMPOSITION FOR PREVENTION AND TREATMENT OF DIABETES OR OBESITY COMPRISING A COMPOUND THAT INHIBITS ACTIVITY OF DIPEPTIDYL PEPTIDASE-IV, AND OTHER ANTIDIABETIC OR ANTIOBESITY AGENTS AS ACTIVE INGREDIENTS Dong-A Pharmaceutical Co., Ltd. (KR) 2011-08-03 EP 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
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DONG-A PHARM. CO., LTD (KR) 2010-05-13 US disclosed
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DONG-A PHARM. CO., LTD (KR) 2010-05-13 US disclosed
EP-2142519-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY Dong-A Pharm.Co., Ltd. (KR) 2010-01-13 EP disclosed
WO-2008130151-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING A DIABETES OR AN OBESITY DONG-A PHARM. CO., LTD. (KR) 2008-10-30 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 (4 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-20250340574-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KCNN4 1068/4885MMP2 2612/4885KMT2A 4648/4885
US-20100120790-A1 DPP-IV INHIBITOR INCLUDING BETA-AMINO GROUP, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME FOR PREVENTING AND TREATING DIABETES OR OBESITY DPP4, DPP7, DPP3 KCNN4 1829/4885MMP2 66/4885KMT2A 1753/4885
US-20110201624-A1 Pharmaceutical Composition for Prevention and Treatment of Diabetes or Obesity Comprising a Compound that Inhibits Activity of Dipeptidyl Peptidase-IV, and other Antidiabetic or Antiobesity Agents as Active Ingredients DPP4, DPP3, DPP7 KCNN4 2096/4885MMP2 26/4885KMT2A 2190/4885
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KCNN4 1001/4885MMP2 2673/4885KMT2A 4637/4885

“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.