SCHEMBL12464309

SCHEMBL12464309

CCOCC1(C)CCN(CCCF)CC1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32

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
SCHEMBL18081340 0.83 OPRM1 (0.33) OPRM1
SCHEMBL12464307 0.79 PIM1 (0.34)
SCHEMBL12395734 0.79 CYP1A2 (0.31)
SCHEMBL12464308 0.78 OPRM1 (0.35) OPRM1OPRD1OPRK1
SCHEMBL15806845 0.78 HRH1 (0.34) OPRM1
SCHEMBL12464686 0.76 OPRM1 (0.33) OPRM1OPRD1OPRK1
SCHEMBL12633301 0.75 OPRM1 (0.34) OPRM1
SCHEMBL24683346 0.74 DRD2 (0.36)
SCHEMBL16079858 0.71
SCHEMBL22731574 0.69 HRH3 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
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 (3 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-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B OPRM1 4884/4885OPRD1 4847/4885OPRK1 4702/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B OPRM1 4884/4885OPRD1 4847/4885OPRK1 4702/4885
US-20140171407-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.