SCHEMBL21733030

SCHEMBL21733030

CCN1CCC(O)(I)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD11B1 P28845 4/20 0.32
S1PR1 P21453 2/20 0.31
S1PR3 Q99500 2/20 0.31
S1PR5 Q9H228 2/20 0.31
CHRNA7 P36544 1/20 0.30
S1PR4 O95977 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
SCHEMBL7858206 0.77 KDM4E (0.40) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL12673901 0.75 KDM4E (0.39) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL17287033 0.75 KDM4E (0.35) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL25794064 0.75 KDM4E (0.35) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL23442163 0.73 KDM4E (0.46) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL23559996 0.73 TSHR (0.48) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL29346750 0.71 SMN1; SMN2 (0.41) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL12665766 0.71 OPRM1 (0.41) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL14400310 0.71 KDM4E (0.37) KDM4EGAAOPRM1OPRD1OPRK1
SCHEMBL14388356 0.71 OPRM1 (0.42) KDM4EGAAOPRM1OPRD1OPRK1

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-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-11-09 US disclosed
US-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC 2020-02-20 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-20200055860-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, ROR1 KDM4E 955/4885GAA 3356/4885OPRM1 2746/4885
US-11168090-B2 Substituted pyrazolo[1,5-a]pyrazines as RET kinase inhibitors RET, BRAF, ROR1 KDM4E 936/4885GAA 3426/4885OPRM1 2749/4885

“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.