SCHEMBL19325906

SCHEMBL19325906

CN(N)Cc1ccccc1-n1nc2c(c1C(=O)O)CC(C)(C)CC2

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.34
OPRM1 P35372 1/20 0.33
CACNA1G O43497 8/20 0.33
CACNA1H O95180 8/20 0.33
CACNA1I Q9P0X4 7/20 0.33
GABRA1 P14867 1/20 0.33
GABRA2 P47869 1/20 0.33
ACHE P22303 2/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1C Q13936 1/20 0.32
EEF2K O00418 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
SCHEMBL19321081 0.92 POLQ (0.35) POLQOPRM1CACNA1GCACNA1HCACNA1I
SCHEMBL19326164 0.88 POLQ (0.32) POLQ
SCHEMBL19140209 0.85 OPRM1 (0.35) POLQOPRM1CACNA1GCACNA1HCACNA1I
SCHEMBL19325970 0.85 MGLL (0.38) POLQACHE
SCHEMBL19325959 0.85 CACNA1G (0.38) OPRM1CACNA1GCACNA1HCACNA1IGABRA1
SCHEMBL19326035 0.85 GABRA1 (0.36) OPRM1CACNA1GCACNA1HCACNA1IGABRA1
SCHEMBL19321076 0.84 CACNA1G (0.37) OPRM1CACNA1GCACNA1HCACNA1IGABRA1
SCHEMBL19320896 0.84 CACNA1G (0.42) OPRM1CACNA1GCACNA1HCACNA1IGABRA1
SCHEMBL19140996 0.82 OPRM1 (0.33) POLQOPRM1CACNA1GCACNA1HCACNA1I
SCHEMBL19321184 0.80 POLQ (0.32) POLQACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 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 (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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 POLQ 4344/4885OPRM1 811/4885CACNA1G 3034/4885

“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.