SCHEMBL20069701

SCHEMBL20069701

CCN1CCN(CC2(NC(=O)OCC3CC3)CCN(C)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.37
CHRM3 P20309 6/20 0.34
EPHX1 P07099 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
EPHX2 P34913 1/20 0.33
SLC22A1 O15245 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
GAA P10253 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
SCHEMBL20069697 0.87 RET (0.43) RETSLC22A1SLC6A4ADRA1AOPRM1
SCHEMBL20147481 0.87 RET (0.36) RETCHRM3EPHX1EPHX2
SCHEMBL20147972 0.85 RET (0.35) RETCHRM3EPHX1EPHX2
SCHEMBL20069705 0.84 RET (0.41) RETEPHX1EPHX2SLC22A1SLC6A4
SCHEMBL20069702 0.82 RET (0.35) RETCHRM3SLC22A1SLC6A4ADRA1A
SCHEMBL20069706 0.81 EPHX1 (0.50) RETEPHX1EPHX2
SCHEMBL20069722 0.81 RET (0.43) RETCHRM3HDAC3HDAC1HDAC2
SCHEMBL20158493 0.80 RET (0.44) RET
SCHEMBL20069700 0.80 CACNA1H (0.37) RET
SCHEMBL20206011 0.78 RET (0.41) RETCHRM3EPHX1HDAC3HDAC1

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 3 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
WO-2018071454-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO 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 RET 1/4885CHRM3 2379/4885EPHX1 1481/4885
US-20180134703-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CHRM3 2379/4885EPHX1 1481/4885

“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.