SCHEMBL20206064

SCHEMBL20206064

CCN1CCC(C)(NC(=O)C2(N)CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.40
CTSC P53634 5/20 0.36
KCNH2 Q12809 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
CNR2 P34972 4/20 0.33
CNR1 P21554 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
HTT P42858 1/20 0.31
CTSK P43235 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 1/20 0.30
KDM4E B2RXH2 2/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 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
SCHEMBL22857016 0.84 RET (0.37) RETCTSCKCNH2LTB4RLTB4R2
SCHEMBL20069014 0.80 RET (0.36) RETCTSCKCNH2LTB4RLTB4R2
SCHEMBL16306650 0.73 DRD2 (0.46) SMN1; SMN2DRD2MMP1MMP9MMP13
SCHEMBL20205769 0.72 RET (0.33) RETOPRD1
SCHEMBL20147974 0.72 CYP2D6 (0.41) SMN1; SMN2DRD2MMP1MMP9MMP13
SCHEMBL18664188 0.71 HTT (0.44) CTSCKCNH2LTB4RLTB4R2HTT
SCHEMBL20068845 0.69 RET (0.35) RETMMP1MMP9MMP13
SCHEMBL21652050 0.69 RET (0.40) RETMMP1MMP9MMP13OPRM1
SCHEMBL20070401 0.68 CYP2D6 (0.34) RETMMP1MMP9MMP13
SCHEMBL1515589 0.67 CTSC (0.37) CTSCKCNH2LTB4RLTB4R2CTSK

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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA INC. 2018-05-31 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-20180148445-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 RET 1/4885CTSC 3852/4885KCNH2 3742/4885

“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.