SCHEMBL21837113

SCHEMBL21837113

O=C(/C=C1/C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ MEN1 O00255 5/20 0.57
▸ KMT2A Q03164 5/20 0.57
▸ RAB9A P51151 4/20 0.57
▸ NPC1 O15118 3/20 0.57
▸ GAA P10253 2/20 0.57
▸ TDP1 Q9NUW8 2/20 0.50
▸ POLB P06746 1/20 0.49
▸ CDK4 P11802 2/20 0.48
▸ CCND1 P24385 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ TGM2 P21980 1/20 0.41
▸ PTGS1 P23219 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
SCHEMBL21837114 1.00 MAPT (0.57) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL21837116 0.77 MAPT (0.73) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL735125 0.75 MAPT (1.00) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL29033817 0.74 TGM2 (0.56) MAPTALDH1A1TGM2
SCHEMBL20582267 0.74 ALOX5 (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL22761105 0.74 ALOX5 (0.51) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL23615723 0.74 ALDH1A1 (0.56) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL22761054 0.74 ALDH1A1 (0.56) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL22761266 0.69 ALDH1A1 (0.52) MAPTRAB9ANPC1TDP1POLB
SCHEMBL23615790 0.68 MAPT (0.59) MAPTMEN1KMT2ARAB9ANPC1

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 7 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
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
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
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 69/4885MEN1 1274/4885KMT2A 549/4885
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 82/4885MEN1 788/4885KMT2A 372/4885

“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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