SCHEMBL19251064

SCHEMBL19251064

CC(C)(C)N1CC[C@]2(CC2N)C1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.36
▸ GRIN3B O60391 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ GRIN2B Q13224 1/20 0.36
▸ GRIN2C Q14957 1/20 0.36
▸ GRIN3A Q8TCU5 1/20 0.36

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
SCHEMBL12458638 1.00 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12459113 1.00 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12458548 1.00 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL22778600 1.00 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12458544 1.00 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12458170 1.00 GRIN2D (0.36) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL19756539 0.88 GRIN2D (0.31) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12458740 0.88 GRIN2D (0.31) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL23509330 0.87 GRIN2D (0.42) GRIN2DGRIN3BCHRM2CHRM1OPRM1
SCHEMBL12458750 0.84 GRIN2D (0.34) GRIN2DGRIN3BCHRM2CHRM1OPRM1

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 3 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-10858360-B2 Tricyclic gyrase inhibitors MERCK SHARP & DOHME CORP. (US) 2020-12-08 — — 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 (2 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-10858360-B2 Tricyclic gyrase inhibitors TOP1, TOP2A, TOP2B GRIN2D 4147/4885GRIN3B 3412/4885CHRM2 4731/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B GRIN2D 4106/4885GRIN3B 3243/4885CHRM2 4673/4885

“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.

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