SCHEMBL20328006

SCHEMBL20328006

CC(S)N1CCC(C)(C(=O)NCCC(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.36
RET P07949 1/20 0.35
CHRM4 P08173 3/20 0.33
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20353623 0.89 TRPA1 (0.37) TRPA1RETCHRM4DRD2DRD4
SCHEMBL22857029 0.86 JAK2 (0.39) TRPA1RETCHRM4
SCHEMBL20328023 0.84 RET (0.37) RET
SCHEMBL20381995 0.83 RET (0.37) TRPA1RETCHRM4DRD2DRD4
SCHEMBL18390115 0.81 RET (0.39) TRPA1RETCHRM4DRD2DRD4
SCHEMBL17531283 0.81 CYP3A4 (0.40) TRPA1RETCHRM4DRD2DRD4
SCHEMBL29516567 0.75 CYP3A4 (0.36) RETDRD2DRD4CYP3A4CYP2C19
SCHEMBL20148018 0.74 JAK2 (0.40) TRPA1RETCHRM4
SCHEMBL20328008 0.73 CYP1A2 (0.34) RETCYP2C19
SCHEMBL18713072 0.73 RET (0.38) RET

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-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-01-08 US disclosed
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-06-28 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-10174028-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, ROR1, BRAF TRPA1 4572/4885RET 1/4885CHRM4 2243/4885
US-20180179203-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, ROR1, BRAF TRPA1 4572/4885RET 1/4885CHRM4 2243/4885

“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.