SCHEMBL20711713

SCHEMBL20711713

CC(C)OC[C@@H]1CCN1C

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 2/20 0.39
CHRNB4 P30926 1/20 0.39

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
SCHEMBL23868163 1.00 CHRNA3 (0.39) CHRNA3CHRNB4
SCHEMBL22062834 0.88 CHRNB4 (0.45) CHRNA3CHRNB4
SCHEMBL20028722 0.88 CHRNB4 (0.45) CHRNA3CHRNB4
SCHEMBL19165618 0.88 CHRNB4 (0.45) CHRNA3CHRNB4
SCHEMBL25808898 0.86 CYP1A2 (0.47) CHRNA3CHRNB4
SCHEMBL24730512 0.86 CYP1A2 (0.47) CHRNA3CHRNB4
SCHEMBL23023341 0.86 CYP1A2 (0.47) CHRNA3CHRNB4
SCHEMBL23868145 0.79 CYP1A2 (0.36)
SCHEMBL22281717 0.78 ERBB2 (0.31)
SCHEMBL25905497 0.78 ERBB2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023004102-A2 COMPOSITIONS AND METHODS FOR INHIBITION OF RAS THERAS, INC. (US) 2023-01-26 WO disclosed
US-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2019-10-17 US disclosed
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 (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-20190315724-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CHRNA3 4536/4885CHRNB4 4883/4885
US-20190040043-A1 PYRAZOLO AND TRIAZOLO BICYCLIC COMPOUNDS AS JAK KINASE INHIBITORS JAK3, JAK1, JAK2 CHRNA3 4536/4885CHRNB4 4883/4885
US-10392368-B2 Pyrazolo and triazolo bicyclic compounds as JAK kinase inhibitors JAK3, JAK1, JAK2 CHRNA3 4536/4885CHRNB4 4883/4885

“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.