SCHEMBL20147332

SCHEMBL20147332

CC(C)N1CCC(C)(CNC2CCOCC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.35
HTR4 Q13639 1/20 0.31
OPRM1 P35372 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
SCHEMBL20147325 0.83 DPP7 (0.36) HRH3
SCHEMBL20148003 0.75 RET (0.44) HRH3
SCHEMBL20147315 0.72 HTT (0.37) HRH3
SCHEMBL13300928 0.71 HRH3 (0.40) HRH3
SCHEMBL21451626 0.71 CYP2D6 (0.36)
SCHEMBL26021796 0.70 KDM4E (0.34) HRH3
SCHEMBL25105630 0.68 HRH3 (0.40) HRH3
SCHEMBL19768949 0.68 PTH1R (0.32) HRH3
SCHEMBL20206025 0.68 HRH3 (0.39) HRH3HTR4
SCHEMBL21388138 0.67

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 1000/4885HTR4 3337/4885OPRM1 3497/4885

“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.