SCHEMBL21652015

SCHEMBL21652015

CCN1CCC(C)(NC(=O)c2ccccc2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.53
CHRM1 P11229 1/20 0.53
CHRM3 P20309 1/20 0.53
HPGD P15428 1/20 0.45
HCN4 Q9Y3Q4 1/20 0.45
CCR3 P51677 1/20 0.44
F9 P00740 1/20 0.44
POLB P06746 1/20 0.44
HCN1 O60741 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
MT-CO2 P00403 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL22857091 0.92 CHRM5 (0.48) CHRM5CHRM1CHRM3HPGDHCN4
SCHEMBL20205892 0.89 MT-CO2 (0.46) CHRM5CHRM1CHRM3CCR3F9
SCHEMBL20069742 0.85 KMT2A (0.54) HPGDHCN4F9POLBHCN1
SCHEMBL21652028 0.82 CHRM5 (0.52) CHRM5CHRM1CHRM3HPGDHCN4
SCHEMBL20158434 0.82 BCAT2 (0.47) HCN4CCR3HCN1DRD2LMNA
SCHEMBL20147551 0.82 P2RX7 (0.47) HCN4F9POLBMAPTNPC1
SCHEMBL21652029 0.81 RET (0.45) CHRM3CCR3ALDH1A1DRD2
SCHEMBL25503721 0.81 LMNA (0.47) CHRM5CHRM1CHRM3CCR3LMNA
SCHEMBL20206003 0.81 RET (0.48)
SCHEMBL20158742 0.80 HCN1 (0.49) HPGDHCN4F9POLBHCN1

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.