SCHEMBL12464308

SCHEMBL12464308

CCOCC1(C)CCN(CC)CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.35
OPRD1 P41143 2/20 0.35
OPRK1 P41145 2/20 0.35
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
PRMT1 Q99873 1/20 0.32
TSHR P16473 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
SCHEMBL12464307 0.81 PIM1 (0.34) KDM4EGAA
SCHEMBL15806842 0.81 OPRM1 (0.33) OPRM1OPRD1OPRK1KDM4EGAA
SCHEMBL12464686 0.81 OPRM1 (0.33) OPRM1OPRD1OPRK1PRMT1
SCHEMBL15806845 0.80 HRH1 (0.34) OPRM1KDM4E
SCHEMBL16079858 0.79
SCHEMBL12464309 0.78 OPRM1 (0.34) OPRM1OPRD1OPRK1
SCHEMBL12395733 0.76 OPRM1 (0.30) OPRM1OPRD1OPRK1KDM4EGAA
SCHEMBL13082726 0.75 KDM4E (0.36) OPRM1OPRD1OPRK1KDM4EGAA
SCHEMBL90746 0.75 PARP1 (0.32)
SCHEMBL14586042 0.75

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 4884/4885OPRD1 4847/4885OPRK1 4702/4885

“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.