SCHEMBL20205811

SCHEMBL20205811

CC(S)N1CCC(O)(Cc2ncccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RET P07949 4/20 0.42
OPRM1 P35372 2/20 0.36
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
CNR2 P34972 7/20 0.35
EGLN1 Q9GZT9 1/20 0.34
P2RX7 Q99572 2/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL20147406 0.90 RET (0.43) RETOPRM1OPRD1OPRK1OPRL1
SCHEMBL20147915 0.83 RET (0.39) RETCNR2EGLN1CNR1ALDH1A1
SCHEMBL20158576 0.83 RET (0.41) RETCNR2EGLN1CNR1
SCHEMBL20147914 0.78 CYP46A1 (0.48) RETOPRM1OPRD1OPRK1OPRL1
SCHEMBL20069493 0.74 RET (0.43) RETOPRM1OPRD1OPRK1OPRL1
SCHEMBL20069298 0.74 DRD2 (0.36) RETCNR2EGLN1ALDH1A1
SCHEMBL20069415 0.73 RET (0.49) RETCNR2
SCHEMBL20137738 0.73 POLB (0.53) RETOPRD1OPRK1ALDH1A1
SCHEMBL25502481 0.69 HTR1A (0.37) OPRM1OPRD1OPRK1OPRL1
SCHEMBL20205813 0.69 RET (0.35) RETOPRM1OPRD1OPRK1OPRL1

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 1/4885OPRM1 3497/4885OPRD1 2909/4885

“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.