SCHEMBL26579398

SCHEMBL26579398

Cc1ccc(CCN2Cc3c(cc(C)c(CCO)c3O)C2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BRD4 O60885 1/20 0.35
▸ BRDT Q58F21 1/20 0.35
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ DAO P14920 1/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ ADRA1D P25100 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ ADRA1B P35368 1/20 0.33

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
SCHEMBL26579386 0.84 CNR2 (0.41) CNR2SMN1; SMN2BRD4BRDTCA1
SCHEMBL26579397 0.83 CNR2 (0.43) CNR2SMN1; SMN2BRD4BRDTCA1
SCHEMBL26579407 0.81 CNR2 (0.42) CNR2SMN1; SMN2BRD4BRDTCA1
SCHEMBL26579404 0.79 CNR2 (0.36) CNR2POLB
SCHEMBL24305866 0.78 CNR2 (0.48) CNR2DAOHRH3TP53POLB
SCHEMBL24305865 0.78 CNR2 (0.48) CNR2
SCHEMBL23460345 0.77 CNR2 (0.47) CNR2SMN1; SMN2TP53POLB
SCHEMBL26579431 0.77 CNR2 (0.37) CNR2
SCHEMBL25323579 0.75 CNR2 (0.46) CNR2DAO
SCHEMBL26579426 0.75 CNR2 (0.44) CNR2BRD4BRDTDAOHRH3

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-20230331672-A1 6-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS, COMPRISING SAME CNG BIO CO., LTD. (KR) 2023-10-19 — — 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-20230331672-A1 6-METHOXY-2-PHENETHYL ISOINDOLINE-1-ONE DERIVATIVE AND COMPOSITION FOR TREATING NEUROLOGICAL DISORDERS, COMPRISING SAME NGF, BDNF, NTRK2 CNR2 412/4885SMN1; SMN2 4/4885BRD4 891/4885

“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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