SCHEMBL12395752

SCHEMBL12395752

CC(C)(C)N1CCOC(CN2CCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.37
ADRA2C P18825 2/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
SCN1A P35498 1/20 0.30
SCN2A Q99250 1/20 0.30
SCN3A Q9NY46 1/20 0.30
PRKCG P05129 1/20 0.30
PRKCB P05771 1/20 0.30
SRC P12931 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCZ Q05513 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL21898983 0.98 EPHX2 (0.38) EPHX2ADRA2CCHRM5ADRA2AADRA2B
SCHEMBL23594031 0.90 EPHX2 (0.34) EPHX2
SCHEMBL17471179 0.88 GAA (0.36) EPHX2PRKCGPRKCBPRKCAPRKCH
SCHEMBL17471180 0.87 HRH3 (0.38) EPHX2PRKCGPRKCBPRKCAPRKCH
SCHEMBL17471165 0.85 EPHX2 (0.33) EPHX2
SCHEMBL23594027 0.83 CCR2 (0.39) EPHX2
SCHEMBL12212805 0.78 EPHX2 (0.37) EPHX2
SCHEMBL12212810 0.78 EPHX2 (0.37) EPHX2
SCHEMBL12264001 0.78 EPHX2 (0.37) EPHX2
SCHEMBL22699697 0.78 EPHX2 (0.36) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B EPHX2 1967/4885ADRA2C 2840/4885CHRM5 4550/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B EPHX2 1967/4885ADRA2C 2840/4885CHRM5 4550/4885

“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.