SCHEMBL21652028

SCHEMBL21652028

CCN1CCC(C)(NC(=O)c2ccccc2OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.52
CHRM1 P11229 1/20 0.52
CHRM3 P20309 1/20 0.52
FAAH O00519 1/20 0.50
CNR2 P34972 1/20 0.50
CTSD P07339 1/20 0.50
ALDH1A1 P00352 2/20 0.47
HCN4 Q9Y3Q4 3/20 0.47
HCN1 O60741 2/20 0.47
MCHR1 Q99705 1/20 0.47
TP53 P04637 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCR3 P51677 1/20 0.45

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
SCHEMBL25503769 0.89 RET (0.44) CHRM5CHRM1CHRM3CNR2MCHR1
SCHEMBL20068936 0.86 HCN1 (0.55) FAAHCNR2CTSDALDH1A1HCN4
SCHEMBL30848613 0.85 FAAH (0.61) FAAHCNR2CTSDALDH1A1TP53
SCHEMBL20147987 0.82 FAAH (0.50) FAAHCNR2CTSDALDH1A1HCN4
SCHEMBL20147583 0.82 HCN1 (0.57) FAAHCNR2CTSDALDH1A1HCN4
SCHEMBL21652015 0.82 CHRM5 (0.53) CHRM5CHRM1CHRM3ALDH1A1HCN4
SCHEMBL21651965 0.82 RET (0.45) MCHR1KMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL20158434 0.80 BCAT2 (0.47) HCN4HCN1MCHR1DRD2CCR3
SCHEMBL8417804 0.80 DRD3 (0.50) CHRM5ALDH1A1DRD2DRD4SMN1; SMN2
SCHEMBL21652029 0.79 RET (0.45) CHRM3ALDH1A1MCHR1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2020-12-10 US disclosed
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. 2020-01-30 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 (2 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-20200383966-A9 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CHRM5 2607/4885CHRM1 2035/4885CHRM3 2379/4885
US-20200030311-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 CHRM5 2607/4885CHRM1 2035/4885CHRM3 2379/4885

“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.