SCHEMBL20147372

SCHEMBL20147372

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.34
SIGMAR1 Q99720 1/20 0.31
DPP4 P27487 1/20 0.31
MMP1 P03956 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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 0.82 CCR1 (0.34) HRH3SIGMAR1DPP4MMP1MMP9
SCHEMBL20147467 0.81 TP53 (0.38) SIGMAR1DPP4MMP1MMP9MMP13
SCHEMBL20147307 0.79 SIGMAR1 (0.32) HRH3SIGMAR1DPP4MMP1MMP9
SCHEMBL20147471 0.78 SIGMAR1 (0.37) HRH3SIGMAR1DPP4MMP1MMP9
SCHEMBL20147353 0.77 PIK3CD (0.40) HRH3SIGMAR1DPP4
SCHEMBL20069718 0.77 EPHX1 (0.39) HRH3SIGMAR1
SCHEMBL20147473 0.77 SIGMAR1 (0.33) SIGMAR1DPP4MMP9MMP13
SCHEMBL16304087 0.76 DRD2 (0.37) HRH3MMP1MMP9MMP13
SCHEMBL20147371 0.76 SIGMAR1 (0.47) HRH3SIGMAR1
SCHEMBL18705063 0.75 MMP9 (0.33) HRH3MMP1MMP9MMP13

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 HRH3 1000/4885SIGMAR1 3807/4885DPP4 1963/4885

“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.