SCHEMBL2017699

SCHEMBL2017699

CC(C)(C)OC(=O)N(CCCF)C1CCNC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.43
SLC6A2 P23975 18/20 0.43
SLC6A3 Q01959 10/20 0.43
CYP2D6 P10635 4/20 0.39
KCNH2 Q12809 2/20 0.38
CHRM3 P20309 1/20 0.38
MBTPS1 Q14703 1/20 0.36

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
SCHEMBL2017701 1.00 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1867866 0.92 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1868919 0.92 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1867864 0.92 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL2237131 0.85 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL2237137 0.85 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL12347236 0.85 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL34474774 0.85 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1972054 0.85 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2
SCHEMBL1972057 0.85 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3CYP2D6KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513110-B1 1,7-DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2018-12-05 EP disclosed
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
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
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO 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 SLC6A4 4840/4885SLC6A2 4789/4885SLC6A3 4578/4885
US-20110183938-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SLC6A4 4840/4885SLC6A2 4789/4885SLC6A3 4578/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SLC6A4 4840/4885SLC6A2 4789/4885SLC6A3 4578/4885

“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.