SCHEMBL12464442

SCHEMBL12464442

CCOCC1(OC)CCN(C)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL15806855 0.81 SLC6A2 (0.32) SLC6A4
SCHEMBL8373081 0.79 CHRM2 (0.32) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL30316 0.79
SCHEMBL12464686 0.75 OPRM1 (0.33) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL29333204 0.75 CHRM2 (0.31)
SCHEMBL12395715 0.74
SCHEMBL12464685 0.73 VNN1 (0.36) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL29346751 0.73 OPRM1 (0.35) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL23102835 0.72 GAA (0.34) OPRM1SLC22A1SLC6A4ADRA1AOPRD1
SCHEMBL14441378 0.72 GAA (0.34)

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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2011-07-28 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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B OPRM1 4884/4885SLC22A1 4006/4885SLC6A4 4840/4885

“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.