SCHEMBL20147940

SCHEMBL20147940

CC(O)CNC(=O)C1(C)CCN(C(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
MMP9 P14780 3/20 0.36
MMP13 P45452 3/20 0.36
MMP1 P03956 1/20 0.36
RET P07949 1/20 0.36
CCR1 P32246 3/20 0.33
MMP8 P22894 3/20 0.33
MMP14 P50281 3/20 0.33
MMP2 P08253 2/20 0.33
MMP3 P08254 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
HRH3 Q9Y5N1 2/20 0.32
HCN4 Q9Y3Q4 1/20 0.30
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
CYP2D6 P10635 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
SCHEMBL25504417 0.89 CYP2C19 (0.38) TRPA1MMP9MMP13MMP1RET
SCHEMBL20069769 0.85 RET (0.36) TRPA1MMP9MMP13MMP1RET
SCHEMBL22857028 0.83 KDM4E (0.38) TRPA1MMP9MMP13MMP1RET
SCHEMBL20158498 0.78 SMN1; SMN2 (0.43) MMP9MMP13MMP1RETHRH3
SCHEMBL20148018 0.78 JAK2 (0.40) TRPA1MMP9MMP13MMP1RET
SCHEMBL18377458 0.77 ALDH1A1 (0.35) MMP13MMP1RETMMP14
SCHEMBL20148015 0.76 MMP9 (0.36) MMP9MMP13MMP1RETMMP8
SCHEMBL20353623 0.76 TRPA1 (0.37) TRPA1MMP9MMP13MMP1RET
SCHEMBL21214329 0.74 HRH3 (0.53) TRPA1RETOPRM1OPRL1HRH3
SCHEMBL21652003 0.73 MMP9 (0.35) MMP9MMP13MMP1RETMMP8

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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2019-10-15 US disclosed
US-20180133207-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-10441581-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 TRPA1 4606/4885MMP9 4196/4885MMP13 3136/4885
US-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 TRPA1 4606/4885MMP9 4196/4885MMP13 3136/4885

“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.