SCHEMBL698991

SCHEMBL698991

COC(=O)c1ncccc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ACLY P53396 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GABRA1 P14867 1/20 0.47
▸ GABRG2 P18507 1/20 0.47
▸ GABRB3 P28472 1/20 0.47
▸ GABRA5 P31644 1/20 0.47
▸ GABRA3 P34903 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ FGFR1 P11362 1/20 0.46
▸ SRC P12931 1/20 0.46
▸ FGFR2 P21802 1/20 0.46
▸ FGFR4 P22455 1/20 0.46
▸ FGFR3 P22607 1/20 0.46
▸ HCRTR1 O43613 1/20 0.46

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
SCHEMBL69177 0.88 L3MBTL1 (0.64) L3MBTL1TDP1KDM4EALDH1A1HPGD
SCHEMBL30499558 0.86 SLC6A4 (0.59) L3MBTL1SMN1; SMN2ACLYKDM4EALDH1A1
SCHEMBL22290184 0.86 SLC6A4 (0.59) L3MBTL1SMN1; SMN2ACLYKDM4EALDH1A1
SCHEMBL5517057 0.86 SLC6A3 (0.59) L3MBTL1SMN1; SMN2ACLYTDP1KDM4E
SCHEMBL9301522 0.86 SLC6A3 (0.57) L3MBTL1ACLYHTTKMT2APRKCZ
SCHEMBL28865711 0.86 L3MBTL1 (0.51) L3MBTL1ACLYTDP1KDM4EALDH1A1
SCHEMBL3991974 0.85 CYP46A1 (0.48) L3MBTL1SMN1; SMN2ACLYTDP1KDM4E
SCHEMBL7812554 0.85 L3MBTL1 (0.57) L3MBTL1TDP1KDM4EALDH1A1ATM
SCHEMBL28250388 0.84 L3MBTL1 (0.50) L3MBTL1ACLYTDP1KDM4EALDH1A1
SCHEMBL4700610 0.83 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2ACLYKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143405-B2 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp (US) 2012-03-27 — — US disclosed
EP-2421850-A1 3 -AZABICYCLO [4.1.0]HEPTANES USED AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2012-02-29 — — EP disclosed
EP-2077719-B1 PIPERIDINE AND PYRROLIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2011-12-28 — — EP disclosed
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 — — EP disclosed
EP-2370426-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL]METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF Glaxo Group Limited (GB) 2011-10-05 — — EP disclosed
WO-2010122151-A1 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-10-28 — — WO disclosed
WO-2010072722-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2010-07-01 — — WO disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 — — WO disclosed
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2010-02-18 — — US disclosed
US-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF PURDUE PHARMA L.P. 2009-12-03 — — US disclosed
EP-1660185-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 — — EP disclosed
EP-1638560-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 — — EP disclosed
WO-2005060949-A2 SELECTIVE NOREPINEPHRINE REUPTAKE INHIBITORS FOR THE TREATMENT OF HOT FLASHES, IMPULSE CONTROL DISORDERS AND PERSONALITY CHANGE DUE TO A GENERAL MEDICAL CONDITION ELI LILLY AND COMPANY (US) 2005-07-07 — — WO disclosed
WO-2005053663-A2 NOREPINEPHRINE REUPTAKE INHIBITORS USEFUL FOR TREATMENT OF COGNITIVE FAILURE ELI LILLY AND COMPANY (US) 2005-06-16 — — WO disclosed
WO-2005020976-A2 TREATMENT OF PERVASIVE DEVELOPMENTAL DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 — — WO disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 — — WO disclosed
WO-2005021095-A2 TREATMENT OF STUTTERING AND OTHER COMMUNICATION DISORDERS WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 — — WO disclosed
WO-2005000305-A1 3-AMINOPIPERIDINES AND 3-AMINOQUINUCLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 — — WO disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 — — 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 (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-20090298878-A1 OXIME COMPOUNDS AND THE USE THEREOF KCNN4, CACNA1A, KCNN3 L3MBTL1 2099/4885SMN1; SMN2 664/4885ACLY 1362/4885
US-20100041667-A1 Piperidine and pyrrolidine beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, PSEN1 L3MBTL1 4572/4885SMN1; SMN2 1699/4885ACLY 1497/4885

“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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