SCHEMBL21837116

SCHEMBL21837116

O=C1C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.73
▸ RAB9A P51151 3/20 0.73
▸ NPC1 O15118 2/20 0.73
▸ GAA P10253 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ TDP1 Q9NUW8 1/20 0.62
▸ CES1 P23141 3/20 0.56
▸ BCHE P06276 2/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ ALDH2 P05091 3/20 0.56
▸ ALDH3A1 P30838 3/20 0.56
▸ PARK7 Q99497 1/20 0.56
▸ HTR2A P28223 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TGM2 P21980 1/20 0.49

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
SCHEMBL735125 0.85 MAPT (1.00) MAPTRAB9ANPC1GAAMEN1
SCHEMBL21837114 0.77 MAPT (0.57) MAPTRAB9ANPC1GAAMEN1
SCHEMBL21837113 0.77 MAPT (0.57) MAPTRAB9ANPC1GAAMEN1
SCHEMBL733677 0.76 RAB9A (0.69) MAPTRAB9ANPC1GAAMEN1
SCHEMBL21225808 0.75 MAPT (0.90) MAPTRAB9ANPC1GAAMEN1
SCHEMBL19924204 0.74 CES1 (1.00) CES1BCHEALDH1A1ALDH2ALDH3A1
SCHEMBL23615790 0.74 MAPT (0.59) MAPTRAB9ANPC1GAAMEN1
SCHEMBL2825796 0.74 RAB9A (0.70) MAPTRAB9ANPC1GAAMEN1
SCHEMBL10159091 0.74 RAB9A (0.66) MAPTRAB9ANPC1GAAMEN1
SCHEMBL27320852 0.73 RAB9A (0.64) MAPTRAB9ANPC1GAAMEN1

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-11247982-B2 NMDA receptor modulators, compositions comprising same and use of these compounds in the treatment of diseases involving the central nervous system ADPUERIVITAM (FR) 2022-02-15 — — US disclosed
EP-3634957-B1 NMDA RECEPTOR MODULATORS, COMPOSITIONS COMPRISING SAME AND USE OF THESE COMPOUNDS IN THE TREATMENT OF DISEASES INVOLVING THE CENTRAL NERVOUS SYSTEM ADPUERIVITAM (FR) 2021-07-07 — — EP disclosed
US-20200385363-A1 NMDA Receptor Modulators, Compositions Comprising Same And Use of These Compounds in the Treatment of Diseases Involving the Central Nervous System ADPUERIVITAM (FR) 2020-12-10 — — US disclosed
EP-3634957-A1 NMDA RECEPTOR MODULATORS, COMPOSITIONS COMPRISING SAME AND USE OF THESE COMPOUNDS IN THE TREATMENT OF DISEASES INVOLVING THE CENTRAL NERVOUS SYSTEM Adpuerivitam (FR) 2020-04-15 — — EP 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-11247982-B2 NMDA receptor modulators, compositions comprising same and use of these compounds in the treatment of diseases involving the central nervous system GRIN3A, GRIN1, GRIN2A MAPT 69/4885RAB9A 2545/4885NPC1 1687/4885
US-20200385363-A1 NMDA Receptor Modulators, Compositions Comprising Same And Use of These Compounds in the Treatment of Diseases Involving the Central Nervous System GRIN1, GRIN2A, GRIN3A MAPT 82/4885RAB9A 2570/4885NPC1 1485/4885

“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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