SCHEMBL19320896

SCHEMBL19320896

COCc1ccccc1-n1nc2c(c1C(=O)O)CC(C)(C)CC2

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 14/20 0.42
CACNA1H O95180 14/20 0.42
CACNA1I Q9P0X4 13/20 0.42
GABRA1 P14867 1/20 0.37
GABRA2 P47869 1/20 0.37
ACHE P22303 3/20 0.36
KCNH2 Q12809 1/20 0.36
CACNA1C Q13936 1/20 0.36
OPRM1 P35372 2/20 0.34

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
SCHEMBL19326035 0.91 GABRA1 (0.36) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19320827 0.88 CYP3A4 (0.32) CACNA1GCACNA1HCACNA1I
SCHEMBL19140209 0.87 OPRM1 (0.35) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19321081 0.85 POLQ (0.35) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19321076 0.85 CACNA1G (0.37) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19325959 0.84 CACNA1G (0.38) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19321039 0.84 CACNA1G (0.41) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19320957 0.84 CACNA1G (0.47) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19325906 0.84 POLQ (0.34) CACNA1GCACNA1HCACNA1IGABRA1GABRA2
SCHEMBL19321089 0.84 ACHE (0.39) CACNA1GCACNA1HCACNA1IACHE

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 CACNA1G 3034/4885CACNA1H 2888/4885CACNA1I 2662/4885

“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.