SCHEMBL22497322

SCHEMBL22497322

C[C@@H]1CCN(Cc2ccccc2)C[C@@H]1NC(=O)O.O=C(O)C(O)(C(=O)c1ccccc1)C(O)(C(=O)O)C(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.47
POLB P06746 1/20 0.46
DRD4 P21917 4/20 0.45
DRD2 P14416 3/20 0.45
ACHE P22303 4/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BCHE P06276 2/20 0.44
MCHR1 Q99705 1/20 0.44

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
SCHEMBL29631582 0.91 MCHR1 (0.46) SCN4ADRD4DRD2ACHECHRM2
SCHEMBL20597490 0.89 SCN4A (0.56) SCN4APOLBDRD4DRD2ACHE
SCHEMBL20597348 0.89 SCN4A (0.56) SCN4APOLBDRD4DRD2ACHE
SCHEMBL20597239 0.89 SCN4A (0.56) SCN4APOLBDRD4DRD2ACHE
Hydrochloric Acid SCHEMBL2148297 0.88 SCN4A (0.55) SCN4APOLBDRD4DRD2ACHE
SCHEMBL29601945 0.87 GAA (0.48) SCN4ADRD4DRD2ACHECHRM2
SCHEMBL2148134 0.87 GAA (0.48) SCN4ADRD4DRD2ACHECHRM2
SCHEMBL30894560 0.79 ACHE (0.43) ACHECHRM2CHRM3BCHE
SCHEMBL6078330 0.78 MCHR1 (0.52) SCN4APOLBDRD4DRD2ACHE
SCHEMBL6078322 0.78 MCHR1 (0.52) SCN4APOLBDRD4DRD2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3927689-B1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORP (KR) 2024-01-24 EP claimed
US-20220144774-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2022-05-12 US claimed
EP-3927689-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME Yuhan Corporation (KR) 2021-12-29 EP claimed
WO-2020204647-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2020-10-08 WO claimed
EP-3927689-B1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORP (KR) 2024-01-24 EP disclosed
US-20220144774-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2022-05-12 US disclosed
US-20220144774-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2022-05-12 US disclosed
EP-3927689-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME Yuhan Corporation (KR) 2021-12-29 EP disclosed
EP-3927689-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME Yuhan Corporation (KR) 2021-12-29 EP disclosed
WO-2020204647-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2020-10-08 WO disclosed
WO-2020204647-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME YUHAN CORPORATION (KR) 2020-10-08 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-20220144774-A1 PROCESSES FOR PREPARING (3R,4R)-1-BENZYL-N,4-DIMETHYLPIPERIDIN-3-AMINE OR A SALT THEREOF AND PROCESSES FOR PREPARING TOFACITINIB USING THE SAME JAK3, JAK1, JAK2 SCN4A 869/4885POLB 2740/4885DRD4 1110/4885

“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.