SCHEMBL20147329

SCHEMBL20147329

CC(C)N1CCC(C)(CN2CCNCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.32

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 0.83 CYP2D6 (0.35) CYP2D6
SCHEMBL20147313 0.83 CYP2D6 (0.35) CYP2D6
SCHEMBL26077291 0.82 PDE4A (0.39) CHRM5CHRM3SMN1; SMN2PDE4APDE4B
SCHEMBL20147370 0.80 HRH3 (0.35) CYP2D6
SCHEMBL20147368 0.80 CYP2D6 (0.33) CYP2D6
SCHEMBL20069058 0.79 POLB (0.35) CHRM5CHRM3SMN1; SMN2PDE4APDE4B
SCHEMBL20147342 0.79 BIRC2 (0.37)
SCHEMBL20147315 0.79 HTT (0.37) SMN1; SMN2CYP2D6
SCHEMBL9690498 0.77 RAD52 (0.38) CHRM5CHRM3SMN1; SMN2PDE4APDE4B
SCHEMBL20147385 0.76 CYP2D6 (0.33) CYP2D6

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 CHRM5 2607/4885CHRM3 2379/4885SMN1; SMN2 646/4885

“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.