SCHEMBL22857038

SCHEMBL22857038

CN1CCC(C)(NC(=O)OCC2CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC3 O15379 3/20 0.42
RET P07949 1/20 0.40
CHRM3 P20309 9/20 0.36
BCHE P06276 2/20 0.34
KDM1A O60341 1/20 0.34
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL20206011 0.85 RET (0.41) HDAC1HDAC2HDAC3RETCHRM3
SCHEMBL20069514 0.84 RET (0.38) HDAC1HDAC2HDAC3RETCHRM3
SCHEMBL20069513 0.81 OPRM1 (0.43) RET
SCHEMBL20069722 0.80 RET (0.43) HDAC1HDAC2HDAC3RETCHRM3
SCHEMBL20069701 0.77 RET (0.37) HDAC1HDAC2HDAC3RETCHRM3
SCHEMBL20069155 0.77 RET (0.38) HDAC1HDAC2RET
SCHEMBL20070374 0.74 EPHX1 (0.42) RETCHRM3SCN1ASCN2ASCN3A
SCHEMBL17285996 0.72 HDAC1 (0.39) HDAC1HDAC2HDAC3CHRM3KDM1A
SCHEMBL10191097 0.71 CTSL (0.48) SCN1ASCN2ASCN3A
SCHEMBL20069704 0.71 RET (0.37) RETSCN1ASCN2ASCN3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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 (1 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 HDAC1 1094/4885HDAC2 1936/4885HDAC3 1891/4885

“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.