SCHEMBL19251539

SCHEMBL19251539

CCCCCCCC(C)(CCCCCC)c1cnc(C)nc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.38
CNR1 P21554 13/20 0.36
ESR1 P03372 2/20 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
SCHEMBL19251047 1.00 CNR2 (0.38) CNR2CNR1ESR1
SCHEMBL22752261 1.00 CNR2 (0.38) CNR2CNR1ESR1
SCHEMBL22674620 0.98 CNR2 (0.37) CNR2CNR1ESR1
SCHEMBL19252460 0.98 CNR2 (0.37) CNR2CNR1ESR1
SCHEMBL21783898 0.96 CNR2 (0.36) CNR2CNR1ESR1
SCHEMBL19251179 0.93 CNR2 (0.36) CNR2CNR1
SCHEMBL22752349 0.93 CNR2 (0.36) CNR2CNR1
SCHEMBL21134743 0.92 ESR1 (0.34) CNR2ESR1
SCHEMBL19251075 0.89 ESR1 (0.33) ESR1
SCHEMBL19251086 0.85 ESR1 (0.33) ESR1

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 CNR2 4524/4885CNR1 4239/4885ESR1 2830/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B CNR2 4387/4885CNR1 4057/4885ESR1 2906/4885

“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.