SCHEMBL20711867

SCHEMBL20711867

CC(C)O[C@H]1CCCN(C(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM2B Q8NHM5 1/20 0.33
KAT2B Q92831 1/20 0.31
PARP1 P09874 2/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL17827390 1.00 DRD2 (0.34) DRD2DRD3KDM2BKAT2BPARP1
SCHEMBL24091383 0.88 HRH3 (0.37) HRH3
SCHEMBL20711726 0.88 HRH3 (0.37) HRH3
SCHEMBL147039 0.88 HRH3 (0.37) HRH3
SCHEMBL21217149 0.85
SCHEMBL21191907 0.84 HRH3 (0.40) HRH3
SCHEMBL19865706 0.82 HRH3 (0.31) HRH3
SCHEMBL21476048 0.82 KDM2B (0.37) DRD2DRD3KDM2BKAT2BPARP1
SCHEMBL749969 0.82 KDM2B (0.37) DRD2DRD3KDM2BKAT2BPARP1
SCHEMBL12026428 0.82 KDM2B (0.37) DRD2DRD3KDM2BKAT2BPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-08-27 US disclosed
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-02-07 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 (2 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-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 DRD2 4030/4885DRD3 2203/4885KDM2B 2164/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 DRD2 4030/4885DRD3 2203/4885KDM2B 2164/4885

“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.