SCHEMBL20147313

SCHEMBL20147313

CC(C)N1CCC(C)(CN2CCCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
HRH3 Q9Y5N1 11/20 0.33
SIGMAR1 Q99720 1/20 0.30
TSHR P16473 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
SCHEMBL20147319 0.96 CYP2D6 (0.35) CYP2D6SIGMAR1
SCHEMBL20147370 0.85 HRH3 (0.35) CYP2D6HRH3
SCHEMBL20147368 0.85 CYP2D6 (0.33) CYP2D6
SCHEMBL20147329 0.83 CHRM5 (0.34) CYP2D6
SCHEMBL20147315 0.83 HTT (0.37) CYP2D6HRH3TSHR
SCHEMBL20147385 0.81 CYP2D6 (0.33) CYP2D6
SCHEMBL26950506 0.80 CYP2D6 (0.31) CYP2D6
SCHEMBL12717161 0.80 TSHR (0.36) HRH3TSHR
SCHEMBL20147341 0.79 CYP2D6 (0.33) CYP2D6
SCHEMBL23103556 0.78 HRH3 (0.35) CYP2D6HRH3SIGMAR1TSHR

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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-17 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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CYP2D6 3759/4885HRH3 1000/4885SIGMAR1 3807/4885

“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.