SCHEMBL21462774

SCHEMBL21462774

CN(C)C(=O)c1ccc2c(ccn2C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G4A P47712 1/20 0.41
▸ PPARG P37231 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38
▸ TFPI2 P48307 2/20 0.38
▸ ACSS2 Q9NR19 1/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.37
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ KDM2B Q8NHM5 2/20 0.37
▸ RARG P13631 1/20 0.37
▸ OXER1 Q8TDS5 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ ACLY P53396 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
SCHEMBL29746616 0.82 RAPGEF4 (0.48) PLA2G4APPARGTSHRRAB9AL3MBTL1
SCHEMBL3431894 0.81 TUBB4A (0.52) PLA2G4AALDH1A1HPGDSMN1; SMN2TUBB1
SCHEMBL18555462 0.78 KDM4E (0.48) PPARGALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL4719272 0.76 ITK (0.43) PPARGTSHRRAB9AL3MBTL1NOTUM
SCHEMBL28169468 0.75 OXER1 (0.40) PPARGALDH1A1HPGDTSHRRAB9A
SCHEMBL6901863 0.75 TFPI2 (0.55) TSHRRAB9AL3MBTL1TFPI2TUBB1
SCHEMBL2473207 0.74 ROCK2 (0.38) PPARGALDH1A1SMN1; SMN2TSHRRAB9A
SCHEMBL16496424 0.74 ROCK2 (0.38) PPARGALDH1A1SMN1; SMN2TSHRRAB9A
SCHEMBL9193164 0.73 ALDH1A1 (0.59) ALDH1A1HPGDSMN1; SMN2NCEH1KDM2B
SCHEMBL2794146 0.73 OXER1 (0.42) ALDH1A1SMN1; SMN2TSHRRAB9AL3MBTL1

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-20210138092-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES CBD SOLUTIONS AB (SE) 2021-05-13 — — US disclosed
EP-3774771-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES Karin&Sten Mortstedt CBD Solutions AB (SE) 2021-02-17 — — EP disclosed
WO-2019197502-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES KARIN & STEN MORTSTEDT CBD SOLUTIONS AB (SE) 2019-10-17 — — 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 (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-20210138092-A1 SELECTIVE LIGANDS FOR TAU AGGREGATES MAPT, PSEN1, PSEN2 PLA2G4A 2435/4885PPARG 134/4885ALDH1A1 4809/4885

“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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