SCHEMBL22857028

SCHEMBL22857028

CCN1CCC(C)(C(=O)NCC(C)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
RET P07949 1/20 0.37
MMP9 P14780 4/20 0.34
MMP13 P45452 4/20 0.34
MMP1 P03956 3/20 0.34
CCR1 P32246 2/20 0.33
TRPA1 O75762 1/20 0.32
ADAM17 P78536 2/20 0.32
DRD2 P14416 3/20 0.32
DRD4 P21917 2/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 2/20 0.32
CYP2D6 P10635 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL21651968 0.89 KDM4E (0.49) KDM4ERETMMP9MMP13MMP1
SCHEMBL20069769 0.84 RET (0.36) RETMMP9MMP13MMP1CCR1
SCHEMBL20147940 0.83 TRPA1 (0.37) RETMMP9MMP13MMP1CCR1
SCHEMBL25504419 0.76 RET (0.36) KDM4ERETMMP9MMP13MMP1
SCHEMBL18377458 0.76 ALDH1A1 (0.35) RETMMP13MMP1MMP14
SCHEMBL18390121 0.74 MMP9 (0.37) KDM4ERETMMP9MMP13MMP1
SCHEMBL20069677 0.72 CYP2C19 (0.46) KDM4ERETMMP1TRPA1DRD2
SCHEMBL20965467 0.72 ACACB (0.38) KDM4ERETMMP9MMP13MMP1
SCHEMBL25504417 0.71 CYP2C19 (0.38) KDM4ERETMMP9MMP13MMP1
SCHEMBL25504420 0.71 KDM4E (0.60) KDM4ERETOPRM1OPRD1OPRK1

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 KDM4E 547/4885RET 1/4885MMP9 4196/4885

“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.