Sugi Predict

Sugi Predict / Compounds / SCHEMBL3069231

SCHEMBL3069231

SCHEMBL3069231

O=C(O)N1CCC(c2ccc(OCc3ccccc3)cc2)C(O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ S1PR5 Q9H228 1/20 0.51
▸ KDM1A O60341 3/20 0.50
▸ MAOA P21397 3/20 0.50
▸ MAOB P27338 3/20 0.50
▸ TP53 P04637 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HRH3 Q9Y5N1 4/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NR4A1 P22736 1/20 0.46
▸ NR4A2 P43354 1/20 0.46
▸ NR4A3 Q92570 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FAAH O00519 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL6041364 0.91 KDM4E (0.46) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6043844 0.89 MEN1 (0.45) NPC1RAB9AKDM1AMAOAMAOB
SCHEMBL6041847 0.89 REN (0.44) NPC1RAB9AS1PR5MAOBTP53
SCHEMBL6042975 0.89 S1PR1 (0.53) KDM1AMAOAMAOBKDM4EALDH1A1
SCHEMBL3193386 0.88 RAB9A (0.45) NPC1RAB9AKDM1ASMN1; SMN2KDM4E
SCHEMBL6041843 0.88 RAB9A (0.45) NPC1RAB9AKDM1ASMN1; SMN2HRH3
SCHEMBL6041689 0.88 S1PR1 (0.50) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL16874657 0.87 KDM1A (0.49) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6043319 0.86 MEN1 (0.42) NPC1RAB9AS1PR5KDM1AMAOA
SCHEMBL6042191 0.86 KMT2A (0.42) NPC1RAB9AKDM1AMAOAMAOB

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2021-04-29 — — US disclosed
US-20200297742-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2020-09-24 — — US disclosed
EP-3677578-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS Bristol-Myers Squibb Company (US) 2020-07-08 — — EP disclosed
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-05-28 — — US disclosed
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — US disclosed
US-20190314392-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2019-10-17 — — US disclosed
US-20190125770-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2019-05-02 — — US disclosed
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2019-04-25 — — US disclosed
US-20180250316-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 — — US disclosed
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2018-09-06 — — US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 — — US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 — — EP disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 — — US disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 — — WO disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 — — EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 — — WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 — — US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 — — US disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 — — EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 — — 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 (11 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-20180250316-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B NPC1 3078/4885RAB9A 2483/4885S1PR5 799/4885
US-20190314392-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B NPC1 3078/4885RAB9A 2483/4885S1PR5 799/4885
US-20200297742-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B NPC1 3078/4885RAB9A 2483/4885S1PR5 799/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 NPC1 794/4885RAB9A 1066/4885S1PR5 3077/4885
US-20210121453-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A NPC1 1366/4885RAB9A 3324/4885S1PR5 862/4885
US-20190117638-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A NPC1 1366/4885RAB9A 3324/4885S1PR5 862/4885
US-20190125770-A1 (R)-3-((3S,4S)-3-FLUORO-4-(4-HYDROXYPHENYL)PIPERIDIN-1-YL)-1-(4-METHYLBENZYL)PYRROLIDIN-2-ONE AND ITS PRODRUGS FOR THE TREATMENT OF PSYCHIATRIC DISORDERS GRIN2C, GRIN3A, GRIN2B NPC1 3078/4885RAB9A 2483/4885S1PR5 799/4885
US-20190314358-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A NPC1 1366/4885RAB9A 3324/4885S1PR5 862/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 NPC1 418/4885RAB9A 1698/4885S1PR5 1925/4885
US-20180250283-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A NPC1 1366/4885RAB9A 3324/4885S1PR5 862/4885
US-20200163949-A1 SELECTIVE NR2B ANTAGONISTS GRIN2B, GRIN2A, GRIN3A NPC1 1366/4885RAB9A 3324/4885S1PR5 862/4885

“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.