SCHEMBL21838495

SCHEMBL21838495

CC(C)OC(=O)N1CCCC(NS(=O)(=O)N(C)C)C1COC1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.67

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
Hydrochloric Acid SCHEMBL28673494 0.83 HCRTR2 (0.68) HCRTR2
Hydrochloric Acid SCHEMBL21293913 0.83 HCRTR2 (0.68) HCRTR2
SCHEMBL29666646 0.81 HCRTR2 (0.58) HCRTR2
SCHEMBL19249923 0.80 HCRTR2 (1.00) HCRTR2
SCHEMBL19219923 0.80 HCRTR2 (1.00) HCRTR2
SCHEMBL29666650 0.79 HCRTR2 (0.55) HCRTR2
SCHEMBL19222796 0.75 HCRTR2 (1.00) HCRTR2
SCHEMBL19250116 0.75 HCRTR2 (1.00) HCRTR2
SCHEMBL19219970 0.75 HCRTR2 (1.00) HCRTR2
SCHEMBL19220185 0.73 HCRTR2 (1.00) HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114181136-A Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2022-03-15 CN disclosed
CN-108884043-B Substituted piperidine compounds and uses thereof 武田药品工业株式会社 2021-11-26 CN disclosed
US-20200115399-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-04-16 US 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-20200115399-A1 SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF HCRTR2, HCRTR1, NTSR2 HCRTR2 1/4885

“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.