SCHEMBL5560408

SCHEMBL5560408

CC(C)(C)OC(=O)N1CC=Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
KDM1A O60341 1/20 0.44
P2RX4 Q99571 3/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRM5 P41594 3/20 0.38
GRM1 Q13255 3/20 0.38
GPR119 Q8TDV5 1/20 0.37
PDK4 Q16654 1/20 0.37
MAPK1 P28482 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
NAMPT P43490 1/20 0.36

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
SCHEMBL29380399 1.00 BCHE (0.46) BCHEKDM1AP2RX4HDAC1HDAC6
Indole SCHEMBL27827279 0.87 TRPA1 (0.38) BCHEKDM1AP2RX4HDAC1HDAC6
Quinoline SCHEMBL28294326 0.86 PDE10A (0.38) BCHEKDM1AGRM5GRM1GPR119
SCHEMBL27739868 0.85 BCHE (0.48) BCHEKDM1AP2RX4HDAC1HDAC6
SCHEMBL7112196 0.84 KDM1A (0.37) BCHEKDM1AP2RX4HDAC1HDAC6
Oxindole SCHEMBL28307962 0.84 AHR (0.44) BCHEKDM1AHDAC1HDAC6SMN1; SMN2
SCHEMBL27785934 0.83 P2RX4 (0.58) BCHEP2RX4LMNASMN1; SMN2MAPK1
SCHEMBL27957065 0.82 AHR (0.41) BCHEKDM1AHDAC1HDAC6SMN1; SMN2
SCHEMBL28304244 0.82 NR1H2 (0.35) BCHEKDM1AHDAC1HDAC6SMN1; SMN2
SCHEMBL29549990 0.81 SMN1; SMN2 (0.53) BCHEP2RX4LMNASMN1; SMN2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
CN-117881680-A Tricyclic compounds as KRAS inhibitors 因赛特公司 2024-04-12 CN disclosed
CN-114555585-A HPK1 inhibitors and uses thereof 上海齐鲁锐格医药研发有限公司 2022-05-27 CN disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed
CN-112805006-A PRMT5 inhibitor 默沙东公司 2021-05-14 CN disclosed
CN-112585138-A 4-substituted pyrrolo [2,3-b ] pyridines as ErbB modulators useful in the treatment of cancer 利德探索中心有限公司 2021-03-30 CN disclosed
CN-110483482-A Indoline -1- Carbox amide, preparation method and its in application pharmaceutically BEIJING INNOCARE PHARMA TECH CO LTD 2019-11-22 CN disclosed
CN-106029656-B Oxindole derivatives, its preparation and its therapeutical uses in treatment AMPK related disease 赛诺菲 2019-07-26 CN disclosed
CN-106029656-A Oxindole derivatives, preparation thereof and therapeutic use in the treatment of AMPK-related diseases 赛诺菲 2016-10-12 CN disclosed
US-8383584-B2 HCV inhibiting macrocyclic phenylcarbamates MEDIVIR AB (SE) 2013-02-26 US disclosed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP disclosed
EP-1532113-A2 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-05-25 EP disclosed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO disclosed
US-20040157880-A1 Indoline and tetrahydro-quinolines as prodrugs for tumour treatment UNIVERSITY OF BRADFORD (GB) 2004-08-12 US disclosed
EP-1408970-A1 INDOLINES AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT THE SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2004-04-21 EP disclosed
WO-2004018429-A2 SUBSTITUTED HIHYDROQUINOLINES AS GLUCOCORTICOID MIMETICS, METHODS OF MAKING THEM, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-03-04 WO disclosed
WO-2002067937-A1 INDOLINE AND TETRAHYDRO-QUINOLINES AS PRODRUGS FOR TUMOUR TREATMENT SCHOOL OF PHARMACY, UNIVERSITY OF LONDON (GB) 2002-09-06 WO disclosed
EP-1114031-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS Pfizer Products Inc. (US) 2001-07-11 EP disclosed
WO-2000017164-A1 4-CARBOXYAMINO-2-SUBSTITUTED-1,2,3,4-TETRAHYDROQUINOLINES AS CETP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-03-30 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 (1 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-20040157880-A1 Indoline and tetrahydro-quinolines as prodrugs for tumour treatment CYP1B1, TOP1, UGT1A1 BCHE 2155/4885KDM1A 458/4885P2RX4 4313/4885

“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.