SCHEMBL16434749

SCHEMBL16434749

CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2)C2(CC2)C1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.48
HDAC2 Q92769 2/20 0.45
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
HDAC1 Q13547 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
S1PR2 O95136 1/20 0.42
F2RL1 P55085 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 1/20 0.41
PDK2 Q15119 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL745368 0.87 GPR119 (0.51) RORCGRM5GRM1PDK2CYP11B2
SCHEMBL38664577 0.85 CYP11B2 (0.45) GRM1ALDH1A1LMNAMAPTPOLB
SCHEMBL29580785 0.83 ALDH1A1 (0.65) RORCALDH1A1LMNAMAPTKMT2A
SCHEMBL16423276 0.80 AKR1C3 (0.43) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19690092 0.80 USP30 (0.47) RORCPDK2CYP11B2
SCHEMBL30826837 0.78 PIK3CD (0.42) RORCALDH1A1LMNAMAPTPOLB
SCHEMBL485607 0.78 HDAC2 (0.58) RORCHDAC2HDAC1ALDH1A1LMNA
SCHEMBL16434800 0.78 ALDH1A1 (0.51) RORCHDAC2GRM5GRM1ALDH1A1
SCHEMBL20142379 0.77 ALDH1A1 (0.67) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL23301170 0.75 USP30 (0.45) RORCMEN1KMT2APDK2CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-9403798-B2 Triazinone compound and T-type calcium channel inhibitor NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2016-08-02 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
US-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL CORPORATION (JP) 2015-03-05 US disclosed
EP-2832728-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR Nissan Chemical Industries, Ltd. (JP) 2015-02-04 EP 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-20150065705-A1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR CACNA1E, CACNA1I, CACNA1G RORC 897/4885HDAC2 634/4885GRM5 331/4885

“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.