SCHEMBL21582335

SCHEMBL21582335

C=C(C)c1ccccc1C1(C(=O)OC)CN(C(c2ccccc2)c2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.46
CYP3A4 P08684 9/20 0.46
CYP2C9 P11712 7/20 0.46
CYP2C19 P33261 5/20 0.46
HIF1A Q16665 3/20 0.41
TSHR P16473 6/20 0.41
CYP1A2 P05177 4/20 0.41
KMT2A Q03164 2/20 0.40
OPRD1 P41143 3/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
OPRL1 P41146 1/20 0.39
ALDH1A1 P00352 4/20 0.39
USP2 O75604 4/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
NOD2 Q9HC29 1/20 0.37
TP53 P04637 1/20 0.36

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
SCHEMBL29573175 1.00 CYP2D6 (0.46) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL29572906 0.88 CYP3A4 (0.47) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL21582270 0.88 CYP3A4 (0.47) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL21582430 0.83 CYP3A4 (0.50) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL29573681 0.83 CYP3A4 (0.50) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL21582580 0.78 LPAR1 (0.51) CYP3A4
SCHEMBL29813296 0.78 LPAR1 (0.51) CYP3A4
SCHEMBL1602301 0.74 CYP3A4 (0.57) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL25258498 0.72 CYP3A4 (0.49) CYP2D6CYP3A4CYP2C9CYP2C19HIF1A
SCHEMBL30168363 0.70 JAK2 (0.39) TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases IDORSIA PHARMACEUTICALS LTD (CH) 2026-02-03 US disclosed
US-12479820-B2 Pyridin-3-yl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-11-25 US disclosed
US-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis IDORSIA PHARMACEUTICALS LTD (CH) 2025-07-01 US disclosed
CN-114026082-B Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2024-06-07 CN disclosed
CN-112236424-B Alkoxy-substituted pyridinyl derivatives 爱杜西亚药品有限公司 2024-03-15 CN disclosed
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2023-01-05 US disclosed
EP-3802517-B1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2022-12-21 EP disclosed
EP-4069227-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES Idorsia Pharmaceuticals Ltd (CH) 2022-10-12 EP disclosed
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-11 US disclosed
CN-114761001-A Combination of azetidine LPA1 receptor antagonists with anti-fibrotic agents 爱杜西亚药品有限公司 2022-07-15 CN disclosed
EP-3986884-A1 PYRIDIN-3-YL DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-04-27 EP disclosed
CN-114026082-A Pyridin-3-yl derivatives 爱杜西亚药品有限公司 2022-02-08 CN disclosed
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2021-08-12 US disclosed
WO-2021110805-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES IDORSIA PHARMACEUTICALS LTD (CH) 2021-06-10 WO disclosed
EP-3802517-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS Idorsia Pharmaceuticals Ltd (CH) 2021-04-14 EP disclosed
CN-112236424-A Alkoxy-substituted pyridyl derivatives 爱杜西亚药品有限公司 2021-01-15 CN disclosed
WO-2020254408-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-24 WO disclosed
WO-2019234115-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS IDORSIA PHARMACEUTICALS LTD (CH) 2019-12-12 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 (6 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-12344597-B2 Alkoxy-substituted pyridinyl derivatives as LPA1 receptor antagonists and their use in the treatment of fibrosis LPAR1, LPAR3, LPAR2 CYP2D6 2056/4885CYP3A4 2430/4885CYP2C9 2930/4885
US-12539294-B2 Combination of an azetidine LPA1 receptor antagonist with pirfenidone and/or nintedanib for use in the treatment of fibrotic diseases LPAR2, LPAR1, LPAR3 CYP2D6 3953/4885CYP3A4 4443/4885CYP2C9 2617/4885
US-20230000846-A1 COMBINATION OF AN AZETIDINE LPA1 RECEPTOR ANTAGONIST WITH PIRFENIDONE AND/OR NINTEDANIB FOR USE IN THE TREATMENT OF FIBROTIC DISEASES LPAR1, LPAR2, LPAR3 CYP2D6 4011/4885CYP3A4 4452/4885CYP2C9 3221/4885
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES LPAR1, LPAR3, LPAR2 CYP2D6 1063/4885CYP3A4 1290/4885CYP2C9 1457/4885
US-20210246116-A1 ALKOXY-SUBSTITUTED PYRIDINYL DERIVATIVES AS LPA1 RECEPTOR ANTAGONISTS AND THEIR USE IN THE TREATMENT OF FIBROSIS LPAR1, LPAR3, LPAR2 CYP2D6 2056/4885CYP3A4 2430/4885CYP2C9 2930/4885
US-12479820-B2 Pyridin-3-yl derivatives LPAR1, LPAR3, LPAR2 CYP2D6 1063/4885CYP3A4 1290/4885CYP2C9 1457/4885

“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.