SCHEMBL21293467

SCHEMBL21293467

CCOC(=O)C1(c2nc[nH]n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
OPRM1 P35372 9/20 0.44
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL28587975 0.79 POLB (0.44) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL4122601 0.75 CA12 (0.46) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL22048950 0.75 OPRM1 (0.41) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL21994844 0.73 OPRM1 (0.40) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL22163905 0.72 OPRM1 (0.48) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL12919599 0.70 POLB (0.55) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL348946 0.68 OPRM1 (0.57) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL23094453 0.68 OPRM1 (0.47) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL10696393 0.68 OPRM1 (0.50) POLBOPRM1OPRD1OPRK1SLC22A1
SCHEMBL22397059 0.67 POLB (0.51) POLBOPRM1OPRD1OPRK1SLC22A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
US-11008312-B2 Pyridazine derivatives as RORc modulators GENENTECH, INC. (US) 2021-05-18 US disclosed
EP-3535255-A1 PYRIDAZINE DERIVATIVES AS RORC MODULATORS H. Hoffnabb-La Roche Ag (CH) 2019-09-11 EP disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 US disclosed
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS GENENTECH, INC. (US) 2019-08-29 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 (2 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-11008312-B2 Pyridazine derivatives as RORc modulators RORC, RORB, RORA POLB 2869/4885OPRM1 203/4885OPRD1 325/4885
US-20190263794-A1 PYRIDAZINE DERIVATIVES AS RORc MODULATORS RORC, RORB, RORA POLB 2869/4885OPRM1 203/4885OPRD1 325/4885

“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.