SCHEMBL15601289

SCHEMBL15601289

CC(C)(C)OC(=O)N1CC2(CCCC2NCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ GPR119 Q8TDV5 2/20 0.45
▸ STS P08842 1/20 0.45
▸ KDM1A O60341 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ ACHE P22303 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ USP30 Q70CQ3 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ TP53 P04637 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
Trifluoroacetic Acid SCHEMBL15577382 0.95 KEAP1 (0.42) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL18838507 0.90 KEAP1 (0.49) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL18838508 0.84 NAMPT (0.46) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL18838380 0.84 NAMPT (0.46) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL18838379 0.83 STS (0.51) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL16914194 0.79 ALDH1A1 (0.51) GPR119STSLMNANAMPTTP53
SCHEMBL4167179 0.79 STS (0.51) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL15507263 0.79 STS (0.51) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL25390723 0.78 STS (0.53) KEAP1NFE2L2GPR119STSKDM1A
SCHEMBL519045 0.78 STS (0.53) KEAP1NFE2L2GPR119STSKDM1A

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 4 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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
US-20150246934-A1 TRICYCLIC GYRASE INHIBITORS MERCK SHARP & DOHME LLC 2015-09-03 — — US disclosed
WO-2014043272-A1 TRICYCLIC GYRASE INHIBITORS FOR USE AS ANTIBACTERIAL AGENTS TRIUS THERAPEUTICS INC. (US) 2014-03-20 — — WO 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-20150246934-A1 TRICYCLIC GYRASE INHIBITORS TOP1, TOP2A, TOP2B KEAP1 2946/4885NFE2L2 3479/4885GPR119 4529/4885
US-10865216-B2 Tricyclic Gyrase inhibitors TOP1, TOP2A, TOP2B KEAP1 2946/4885NFE2L2 3479/4885GPR119 4529/4885

“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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