SCHEMBL19252713

SCHEMBL19252713

CCC(C)(C)c1cnc(N2CC(O)C2)nc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
HRH3 Q9Y5N1 5/20 0.35
ACACB O00763 5/20 0.34
MAOB P27338 2/20 0.33
AOC3 Q16853 1/20 0.33
CHRM4 P08173 1/20 0.31

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
SCHEMBL19252598 0.88 CNR2 (0.39) CNR2ACACBAOC3
SCHEMBL12459040 0.83 ACACB (0.44) CNR2ACACBAOC3CHRM4
SCHEMBL22778684 0.78 HRH3 (0.43) HRH3MAOB
SCHEMBL12525218 0.76 OGA (0.38) ACACBAOC3
SCHEMBL19251168 0.74 POLB (0.47) CNR2HRH3AOC3
SCHEMBL12457553 0.73 ACACB (0.41) ACACBAOC3
SCHEMBL17057373 0.71 AOC3 (0.35) ACACBAOC3
SCHEMBL22032079 0.70 AOC3 (0.33) ACACBAOC3
SCHEMBL13674841 0.70 ACACB (0.40) ACACBAOC3
SCHEMBL15058900 0.70 AOC3 (0.38) ACACBAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865216-B2 Tricyclic Gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-15 US disclosed
US-9732083-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-15 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-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4387/4885HRH3 4648/4885ACACB 1084/4885

“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.