SCHEMBL23545017

SCHEMBL23545017

C=CC(=O)N1CCN(CC)[C@@H](C)C1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
SIGMAR1 Q99720 1/20 0.41
JAK3 P52333 13/20 0.40
THRB P10828 1/20 0.35
TEAD1 P28347 2/20 0.34
BTK Q06187 1/20 0.34
CNR1 P21554 1/20 0.34

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
SCHEMBL24447202 1.00 CHRM1 (0.47) CHRM1SIGMAR1JAK3THRBTEAD1
SCHEMBL23312157 0.86 CHRM1 (0.50) CHRM1SIGMAR1JAK3THRBCNR1
SCHEMBL23278116 0.84 JAK3 (0.39) CHRM1JAK3
SCHEMBL20334388 0.83 TEAD1 (0.34) CHRM1JAK3TEAD1BTK
SCHEMBL25840889 0.81 JAK3 (0.41) JAK3
SCHEMBL23583942 0.81 JAK3 (0.36) CHRM1SIGMAR1JAK3
SCHEMBL27284053 0.80 JAK3 (0.40) JAK3TEAD1BTK
SCHEMBL23545018 0.80 JAK3 (0.40) JAK3TEAD1BTK
SCHEMBL25840939 0.79 JAK3 (0.42) JAK3TEAD1BTK
SCHEMBL23735830 0.78 TEAD1 (0.39) JAK3TEAD1BTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2021-06-24 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-20210188844-A1 FUSED PYRIMIDINE PYRIDINONE COMPOUNDS AS JAK INHIBITORS JAK3, JAK1, JAK2 CHRM1 4779/4885SIGMAR1 3400/4885JAK3 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.