SCHEMBL16422669

SCHEMBL16422669

O=C1c2ccccc2C(=O)N1C[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1.OC[C@H]1CN(Cc2ccccc2)C[C@@H]1c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.47
RORC P51449 3/20 0.46
GBA1 P04062 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MMP9 P14780 2/20 0.43
MMP13 P45452 2/20 0.43
CASP3 P42574 1/20 0.42
ACHE P22303 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
SCHEMBL16422933 0.95 CCR5 (0.51) CCR5RORCMMP1MMP2MMP3
SCHEMBL16422937 0.95 CCR5 (0.51) CCR5RORCMMP1MMP2MMP3
SCHEMBL16422936 0.95 CCR5 (0.51) CCR5RORCMMP1MMP2MMP3
SCHEMBL27989206 0.87 RORC (0.58) CCR5RORCGBA1ACHE
SCHEMBL2820735 0.87 RORC (0.58) CCR5RORCGBA1ACHE
SCHEMBL2820737 0.87 RORC (0.58) CCR5RORCGBA1ACHE
SCHEMBL16423078 0.79 MMP2 (0.44) CCR5MMP1MMP2MMP3MMP9
SCHEMBL16423081 0.79 MMP2 (0.44) CCR5MMP1MMP2MMP3MMP9
SCHEMBL16423080 0.79 MMP2 (0.44) CCR5MMP1MMP2MMP3MMP9
SCHEMBL417494 0.78 GBA1 (0.63) CCR5RORCGBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2832728-B1 TRIAZINONE COMPOUND AND T-TYPE CALCIUM CHANNEL INHIBITOR NISSAN CHEMICAL IND LTD (JP) 2018-09-05 EP 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
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 CCR5 2910/4885RORC 897/4885GBA1 3485/4885

“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.