SCHEMBL82046

SCHEMBL82046

CC(=O)N1CCN(c2ccc(C)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 5/20 0.71
CASP6 P55212 1/20 0.71
MAPT P10636 6/20 0.70
ALDH1A1 P00352 3/20 0.70
CYP2C9 P11712 1/20 0.70
HPGD P15428 1/20 0.70
CYP2C19 P33261 1/20 0.70
GAA P10253 3/20 0.68
ALOX15 P16050 3/20 0.68
ALOX12 P18054 3/20 0.68
LMNA P02545 2/20 0.68
KDM4E B2RXH2 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
MEN1 O00255 2/20 0.65
KMT2A Q03164 2/20 0.65
AKR1C3 P42330 1/20 0.65
NPC1 O15118 2/20 0.56
PKM P14618 1/20 0.56
RAB9A P51151 1/20 0.55
HTT P42858 2/20 0.54

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
SCHEMBL630856 0.85 AKR1C3 (0.65) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL1128293 0.85 GFER (0.71) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL9410734 0.83 AKR1C3 (0.63) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL13257760 0.83 AKR1C3 (0.63) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL6152986 0.83 GFER (1.00) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL188503 0.83 GFER (1.00) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL1432752 0.83 GFER (0.69) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL21204502 0.83 GFER (0.69) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL20696070 0.83 GFER (0.69) GFERCASP6MAPTALDH1A1CYP2C9
SCHEMBL14276932 0.83 CASP6 (0.69) GFERCASP6MAPTALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF MEDIFRON DBT INC. (KR) 2024-01-18 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
EP-3873472-B1 NOVEL PYRIDAZINES BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-4005572-A1 BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER Korea Research Institute of Chemical Technology (KR) 2022-06-01 EP disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-11186571-B2 Quinazolinone derivatives useful for imaging LONDON HEALTH SCIENCES CENTRE RESEARCH INC. (CA) 2021-11-30 US disclosed
EP-3838898-A1 ISOINDOLIN-1-ON DERIVATIVE, METHOD FOR PREPARING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT FOR PREVENTING OR TREATING CANCER Korea Research Institute of Chemical Technology (KR) 2021-06-23 EP disclosed
WO-2021101268-A1 BENZAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF CANCER 한국화학연구원 2021-05-27 WO disclosed
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 WO disclosed
US-7365196-B2 Sulphonamido-substituted bridged bicycloalkyl derivatives MERCK SHARP & DOHME LTD. (GB) 2008-04-29 US disclosed
EP-1900728-A1 PHARMACEUTICAL COMPOSITION COMPRISING PYRAZOLONE DERIVATIVE Genecare Research Institute Co., Ltd (JP) 2008-03-19 EP disclosed
WO-2008003958-A2 FUSED PYRIMIDO COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 WO disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
US-20080009482-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2008-01-10 US disclosed
WO-2007140222-A2 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2007-12-06 WO disclosed
WO-2007104783-A2 1,4 -DI SUBSTITUTED 3-CYANO-PYRIDONE DERIVATIVES AND THEIR USE AS POSITIVE MGLUR2-RECEPT0R MODULATORS ORTHO-MCNEIL-JANSSEN PHARMACEUTICALS, INC. (US) 2007-09-20 WO disclosed
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US disclosed
US-RE39707-E1 Camptothecin derivatives CATHOLIC HEALTHCARE WEST (US) 2007-06-26 US disclosed
EP-1353673-B1 CAMPTOTHECIN DERIVATIVES CALIFORNIA PACIFIC MED CENTER (US) 2007-04-18 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 (5 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-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 GFER 3135/4885CASP6 2354/4885MAPT 4062/4885
US-20080009482-A1 NOVEL COMPOUNDS CYP11B2, CYP11B1, CYP46A1 GFER 4802/4885CASP6 1054/4885MAPT 2200/4885
US-11186571-B2 Quinazolinone derivatives useful for imaging TNNI3, KLK3, BRDT GFER 3484/4885CASP6 3204/4885MAPT 4001/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C GFER 3654/4885CASP6 443/4885MAPT 21/4885
US-20240018135-A1 COMPOUND HAVING INHIBITORY ACTIVITY AGAINST O-GLUSACASE AND USE THEREOF OGA, OGT, ENGASE GFER 1604/4885CASP6 1631/4885MAPT 2864/4885

“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.