Sugi Predict

Sugi Predict / Compounds / SCHEMBL6328429

SCHEMBL6328429

SCHEMBL6328429

COC(=O)/C=C/c1cc(C)c(N2CC(Cc3ccc(F)cc3F)CCC2=O)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ GPR6 P46095 1/20 0.34
▸ P2RX7 Q99572 6/20 0.33
▸ NR1H4 Q96RI1 2/20 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
SCHEMBL6328436 1.00 MAOA (0.37) MAOAACHEMAOBGSK3BBACE1
SCHEMBL6402503 0.90 SLC6A2 (0.38) MAOAACHEMAOBGSK3BBACE1
SCHEMBL6400139 0.90 SLC6A2 (0.38) MAOAACHEMAOBGSK3BBACE1
SCHEMBL6334941 0.89 MAOA (0.36) MAOAACHEMAOBGSK3BBACE1
SCHEMBL6334943 0.89 MAOA (0.36) MAOAACHEMAOBGSK3BBACE1
SCHEMBL6329553 0.85 MAPK14 (0.39) NPC1RAB9AALDH1A1TDP1HTR2A
SCHEMBL6326104 0.85 HTR2A (0.34) MAOAACHEMAOBALDH1A1TDP1
SCHEMBL6326113 0.85 HTR2A (0.34) MAOAACHEMAOBALDH1A1TDP1
SCHEMBL6403964 0.81 PTGER1 (0.39) ALDH1A1TDP1GPR6P2RX7
SCHEMBL6330806 0.81 P2RX7 (0.36) ALDH1A1TDP1HTR2AP2RX7

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-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 — — US claimed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 — — EP claimed
US-6939867-B2 Phenyl sulfamide derivatives as dietetics, antidiabetics, and hypotensive agents PFIZER INC. (US) 2005-09-06 — — US disclosed
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO. LTD. (JP) 2005-04-21 — — US disclosed
EP-1447401-A1 PIPERIDIN-2-ONE DERIVATIVE COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-08-18 — — EP disclosed
US-20020128247-A1 Beta3 agonists and uses thereof DOW ROBERT L (US) 2002-09-12 — — US disclosed
EP-1236723-A1 Sulfamide derivatives useful as beta3 agonists and pharmaceutical uses thereof Pfizer Products Inc. (US) 2002-09-04 — — 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-20020128247-A1 Beta3 agonists and uses thereof ADRB3, ADRB1, ADRB2 MAOA 1205/4885ACHE 1756/4885MAOB 909/4885
US-20050085509-A1 Piperidin-2-one derivative compounds and drugs containing these compounds as the active ingredient MAPKAP1, MAPK1, MAPK8 MAOA 2215/4885ACHE 3730/4885MAOB 3638/4885

“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.