SCHEMBL21158862

SCHEMBL21158862

CC(S)N1CCN(C(=O)C(CN(C)C)c2ccc(F)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
RET P07949 2/20 0.41
CACNA2D1 P54289 1/20 0.40
CACNA1B Q00975 1/20 0.40
CACNB1 Q02641 1/20 0.40
CACNA1C Q13936 1/20 0.40
DPP4 P27487 3/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
POLB P06746 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KCNH2 Q12809 1/20 0.37
DPP9 Q86TI2 1/20 0.37

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
SCHEMBL20070958 0.90 CHRM1 (0.52) CHRM1RETCACNA2D1CACNA1BCACNB1
SCHEMBL20160593 0.84 CHRM1 (0.50) CHRM1RETDPP4DPP8DPP7
SCHEMBL22030559 0.82 CHRM1 (0.52) CHRM1RET
SCHEMBL20070969 0.74 CHRM1 (0.54) CHRM1CACNA2D1CACNA1BCACNB1CACNA1C
SCHEMBL20152348 0.72 RET (0.45) CHRM1RETDPP4DPP8DPP7
SCHEMBL18705006 0.71 HRH3 (0.49) CHRM1RETCACNA2D1CACNA1BCACNB1
SCHEMBL7661918 0.69 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CDPP4
SCHEMBL22812245 0.69 RET (0.43) CHRM1RETDPP4DPP8DPP7
SCHEMBL7393065 0.69 CACNA2D1 (0.50) CACNA2D1CACNA1BCACNB1CACNA1CDPP4
SCHEMBL20069728 0.69 RET (0.48) CHRM1RETDPP4DPP8DPP7

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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ELI LILLY AND COMPANY (US) 2020-02-11 US disclosed
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-06-20 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-10555944-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF CHRM1 2284/4885RET 1/4885CACNA2D1 2786/4885
US-20190183886-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF CHRM1 2284/4885RET 1/4885CACNA2D1 2786/4885

“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.