SCHEMBL26013186

SCHEMBL26013186

CCc1cc(C(C)(C)C)n(CC2CCOC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.39
▸ CNR1 P21554 3/20 0.39
▸ CYP11B2 P19099 1/20 0.34
▸ TDO2 P48775 2/20 0.33
▸ PIK3CA P42336 2/20 0.33
▸ SLC16A3 O15427 1/20 0.33
▸ SLC16A1 P53985 1/20 0.33
▸ MAPK1 P28482 1/20 0.32
▸ TLR7 Q9NYK1 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ ABL1 P00519 1/20 0.31
▸ BCR P11274 1/20 0.31
▸ TRPC5 Q9UL62 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 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
SCHEMBL24816274 0.85 CNR2 (0.40) CNR2CNR1CYP11B2TDO2PIK3CA
SCHEMBL24816265 0.85 CNR2 (0.40) CNR2CNR1CYP11B2TDO2PIK3CA
SCHEMBL24007674 0.84 CNR2 (0.39) CNR2CNR1CYP11B2TDO2PIK3CA
SCHEMBL24007544 0.80 CHRM2 (0.33) CNR2CNR1
SCHEMBL25747166 0.80 CRHR1 (0.38) CNR2CNR1SLC16A3SLC16A1KCNH2
SCHEMBL26013187 0.80 CNR2 (0.35) CNR2
SCHEMBL24007937 0.79 CNR2 (0.36) CNR2CNR1CYP11B2TDO2PIK3CA
SCHEMBL26012444 0.77 CNR1 (0.42) CNR2CNR1
SCHEMBL24006951 0.73 PDE4D (0.36) CNR2CNR1KCNH2
SCHEMBL2816044 0.73 PIK3CA (0.40) CNR2CYP11B2TDO2PIK3CATLR7

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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. 2023-08-24 — — 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-20230265075-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS JAK2, JAK3, STAT5B CNR2 3981/4885CNR1 4118/4885CYP11B2 2970/4885

“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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