SCHEMBL22761105

SCHEMBL22761105

O=C(C[C@@H]1C(=O)N(CCc2c[nH]c3ccccc23)c2ccccc21)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.51
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 3/20 0.48
▸ POLB P06746 2/20 0.48
▸ CDK4 P11802 1/20 0.47
▸ CCND1 P24385 1/20 0.47
▸ MAPT P10636 6/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL20582267 1.00 ALOX5 (0.51) ALOX5RAB9ANPC1POLBCDK4
SCHEMBL23615790 0.78 MAPT (0.59) ALOX5RAB9ANPC1POLBMAPT
SCHEMBL22761054 0.75 ALDH1A1 (0.56) RAB9ANPC1POLBCDK4CCND1
SCHEMBL23615723 0.75 ALDH1A1 (0.56) RAB9ANPC1POLBCDK4CCND1
SCHEMBL21837113 0.74 MAPT (0.57) RAB9ANPC1POLBCDK4CCND1
SCHEMBL21837114 0.74 MAPT (0.57) RAB9ANPC1POLBCDK4CCND1
SCHEMBL23615759 0.71 MAPT (0.55) RAB9ANPC1CDK4CCND1MAPT
SCHEMBL2491233 0.70 MAPT (0.56) RAB9ANPC1CDK4CCND1MAPT
SCHEMBL22761266 0.70 ALDH1A1 (0.52) RAB9ANPC1POLBCDK4CCND1
SCHEMBL21837116 0.69 MAPT (0.73) RAB9ANPC1MAPTKMT2AMEN1

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-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

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 ALOX5 1199/4885RAB9A 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 ALOX5 1982/4885RAB9A 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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