SCHEMBL20158859

SCHEMBL20158859

C[C@H](S)N1CCC(C)(NC(=O)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.39
CACNA1H O95180 1/20 0.37
CCR3 P51677 1/20 0.36
RET P07949 1/20 0.35
CNR2 P34972 1/20 0.35
IDO1 P14902 1/20 0.35
SLC6A3 Q01959 2/20 0.35
CHRM1 P11229 2/20 0.33
BDKRB1 P46663 2/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP3A4 P08684 1/20 0.33
WDR5 P61964 1/20 0.33
ANO1 Q5XXA6 1/20 0.33
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
CCNA2 P20248 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
SCHEMBL20147576 0.89 MCHR1 (0.40) MCHR1CACNA1HCCR3RETCNR2
SCHEMBL20205891 0.83 CACNA1H (0.39) MCHR1CACNA1HCCR3RETCNR2
SCHEMBL20069668 0.82 MAPK1 (0.44) MCHR1CACNA1HCCR3RETCNR2
SCHEMBL20158441 0.79 BDKRB1 (0.39) MCHR1CNR2BDKRB1
SCHEMBL21652026 0.78 MCHR1 (0.45) MCHR1CACNA1HCCR3RETCNR2
SCHEMBL20147574 0.77 CYP2D6 (0.48) SLC6A3CHRNB2SLC6A2CHRNB4CHRNA3
SCHEMBL20148012 0.77 RET (0.41) MCHR1RETCNR2SLC6A3WDR5
SCHEMBL20147564 0.76 CYP2D6 (0.43) CNR2
SCHEMBL20148013 0.73 RET (0.42) MCHR1RETCCNE1CDK2
SCHEMBL20205828 0.73 MCHR1 (0.44) MCHR1RETANO1

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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180134703-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 (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-10172845-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 MCHR1 1063/4885CACNA1H 4250/4885CCR3 1128/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 MCHR1 1063/4885CACNA1H 4250/4885CCR3 1128/4885

“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.