SCHEMBL20147337

SCHEMBL20147337

CC(C)N1CCC(C)(NC(=O)C2CCCN2C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.40
CYP3A4 P08684 2/20 0.40
HRH3 Q9Y5N1 5/20 0.34
CHRM1 P11229 1/20 0.33
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
KDM5A P29375 1/20 0.31
RET P07949 1/20 0.31
HSD11B1 P28845 1/20 0.31
KCNH2 Q12809 1/20 0.30
KAT2B Q92831 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
SCHEMBL20069819 0.92 RET (0.35) CYP2D6CYP3A4HRH3CHRM1KDM5A
SCHEMBL2604735 0.85 CYP3A4 (0.46) CYP2D6CYP3A4CHRM1WNT1GSK3B
SCHEMBL12733477 0.84 CYP3A4 (0.44) CYP2D6CYP3A4CHRM1WNT1GSK3B
SCHEMBL20147474 0.79 KDM5A (0.44) CYP2D6HRH3CHRM1WNT1GSK3B
SCHEMBL21651941 0.76 RET (0.37) CYP2D6CYP3A4CHRM1KDM5ARET
SCHEMBL20147376 0.75 RET (0.47) CYP2D6CYP3A4HRH3CHRM1RET
SCHEMBL20158637 0.74 HRH3 (0.35) CYP2D6HRH3KDM5ARETKCNH2
SCHEMBL20148011 0.72 RET (0.42) HRH3RET
SCHEMBL16304087 0.72 DRD2 (0.37) CYP2D6HRH3KCNH2
SCHEMBL9911458 0.72 CYP3A4 (0.50) CYP2D6CYP3A4WNT1GSK3BDYRK1A

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 3759/4885CYP3A4 3760/4885HRH3 1000/4885

“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.