SCHEMBL13856441

SCHEMBL13856441

CC(C)c1nnc(CO)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
CTSK P43235 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL19288772 0.83 NOTUM (0.40) NOTUM
SCHEMBL16000792 0.83 MAPT (0.31)
SCHEMBL25017779 0.79 GRIN1 (0.30)
SCHEMBL7649809 0.79 S1PR1 (0.34) CTSK
SCHEMBL22600415 0.77 NOTUM (0.42) NOTUMEPHX2
SCHEMBL7602053 0.77 ELANE (0.33)
SCHEMBL11325095 0.77 ALDH1A1 (0.42) NOTUM
SCHEMBL12299809 0.76 MAPT (0.42) CTSK
SCHEMBL838325 0.74 EPHX2 (0.33) CTSKEPHX2
SCHEMBL22905242 0.74 CTSK (0.32) CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-08-13 US disclosed
US-10202378-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-12 US disclosed
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-01-11 US disclosed
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-08-17 US disclosed
US-9676757-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof MERCK PATENT GMBH (DE) 2017-06-13 US disclosed
US-9156830-B2 Heterocyclic compounds SHIONOGI & CO., LTD. (JP) 2015-10-13 US disclosed
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2015-09-24 US disclosed
US-20140249159-A1 HETEROCYCLIC COMPOUNDS PURDUE PHARMA L.P. 2014-09-04 US disclosed
US-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase MERCK FROSST CANADA LTD. (CA) 2009-05-07 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 (7 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-20090118296-A1 Heteroaromatic Compounds As Inhibitors Of Stearoyl-Coenzyme A Delta-9 Desaturase SCD, SCD5, SREBF1 NOTUM 312/4885CTSK 3245/4885EPHX2 1001/4885
US-20170233377-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A NOTUM 1983/4885CTSK 3755/4885EPHX2 3734/4885
US-20150266862-A1 HETEROCYCLIC COMPOUNDS AS NAV CHANNEL INHIBITORS AND USES THEREOF CACNA1B, CACNG6, SCN5A NOTUM 1983/4885CTSK 3755/4885EPHX2 3734/4885
US-10202378-B2 Therapeutic compounds and uses thereof TAF1, TAF1L, TAF1B NOTUM 2553/4885CTSK 2536/4885EPHX2 4380/4885
US-20140249159-A1 HETEROCYCLIC COMPOUNDS HRH2, UGT1A3, UGT1A1 NOTUM 4629/4885CTSK 4028/4885EPHX2 1738/4885
US-10377745-B2 Heterocyclic compounds as NaV channel inhibitors and uses thereof CACNA1B, CACNG6, SCN5A NOTUM 1983/4885CTSK 3755/4885EPHX2 3734/4885
US-20180009805-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF TAF1, TAF1L, TAF1B NOTUM 2553/4885CTSK 2536/4885EPHX2 4380/4885

“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.