SCHEMBL22804653

SCHEMBL22804653

COC[C@H](C)Oc1cc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 4/20 0.37
PIN1 Q13526 6/20 0.36
VCAM1 P19320 1/20 0.36
HCAR3 P49019 1/20 0.34
LMNA P02545 1/20 0.34
ABL1 P00519 2/20 0.34
S1PR4 O95977 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL29572900 1.00 GCK (0.37) GCKPIN1VCAM1HCAR3LMNA
SCHEMBL22804656 1.00 GCK (0.37) GCKPIN1VCAM1HCAR3LMNA
SCHEMBL15283821 0.83 PDK1 (0.45) PIN1LMNANPC1
SCHEMBL29811740 0.78 PIN1 (0.50) PIN1LMNANPC1
SCHEMBL1100650 0.78 PIN1 (0.50) PIN1LMNANPC1
SCHEMBL25009352 0.77 MCHR1 (0.37) GCKABL1
SCHEMBL25001114 0.77 MCHR1 (0.37) GCKABL1
SCHEMBL2657961 0.76 S1PR4 (0.41) GCKLMNAS1PR4NPC1
SCHEMBL25009529 0.76 MCHR1 (0.42) GCKABL1
SCHEMBL25000952 0.76 MCHR1 (0.42) GCKABL1

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
US-12479820-B2 Pyridin-3-yl derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-11-25 US disclosed
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. 2025-01-30 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-118043041-A LPAR1 antagonists and uses thereof 康蒂内乌姆医疗公司 2024-05-14 CN disclosed
US-20220251068-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-08-11 US 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
WO-2020254408-A1 PYRIDIN-3-YL DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-24 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 (3 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-20220251068-A1 PYRIDIN-3-YL DERIVATIVES LPAR1, LPAR3, LPAR2 GCK 3789/4885PIN1 4478/4885VCAM1 1288/4885
US-20250034110-A1 LPAR1 ANTAGONISTS AND USES THEREOF LPAR1, LPAR2, LPAR3 GCK 2850/4885PIN1 3062/4885VCAM1 712/4885
US-12479820-B2 Pyridin-3-yl derivatives LPAR1, LPAR3, LPAR2 GCK 3789/4885PIN1 4478/4885VCAM1 1288/4885

“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.