SCHEMBL20147307

SCHEMBL20147307

CC(C)N1CCC(C)(NC(=O)CCO)CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.32
DPP4 P27487 1/20 0.31
MMP1 P03956 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
EPHX2 P34913 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CYP2D6 P10635 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL20147475 0.83 CCR1 (0.34) SIGMAR1DPP4MMP1MMP9MMP13
SCHEMBL20147467 0.82 TP53 (0.38) SIGMAR1DPP4MMP1MMP9MMP13
SCHEMBL20147372 0.79 HRH3 (0.34) SIGMAR1DPP4MMP1MMP9MMP13
SCHEMBL20147471 0.79 SIGMAR1 (0.37) SIGMAR1DPP4MMP1MMP9MMP13
SCHEMBL20147364 0.79 MEN1 (0.49) HRH3L3MBTL1
SCHEMBL20147473 0.78 SIGMAR1 (0.33) SIGMAR1DPP4MMP9MMP13
SCHEMBL20147353 0.78 PIK3CD (0.40) SIGMAR1DPP4HRH3CYP2D6
SCHEMBL20069718 0.78 EPHX1 (0.39) SIGMAR1HRH3CYP2D6ALDH1A1
SCHEMBL16304087 0.78 DRD2 (0.37) MMP1MMP9MMP13HRH3CYP2D6
SCHEMBL20147371 0.77 SIGMAR1 (0.47) SIGMAR1HRH3ALDH1A1

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-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 (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-20180133207-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS RET, BRAF, RAF1 SIGMAR1 3807/4885DPP4 1963/4885MMP1 3562/4885

“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.