SCHEMBL3716772

SCHEMBL3716772

O=C(O)C1(Cc2ccccc2)CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
KDM4E B2RXH2 2/20 0.43
AKR1C1 Q04828 1/20 0.42
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRB2 P07550 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.41
GAA P10253 1/20 0.40
HSD11B1 P28845 1/20 0.40

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
SCHEMBL5818358 0.96 AKR1C1 (0.47) MAOAMAOBKDM4EAKR1C1SLC6A2
SCHEMBL29024354 0.94 CYP2C19 (0.48) MAOAMAOBKDM4EAKR1C1SLC6A2
SCHEMBL6585961 0.94 CYP2C19 (0.48) MAOAMAOBKDM4EAKR1C1SLC6A2
SCHEMBL11373445 0.94 CYP2C19 (0.48) MAOAMAOBKDM4EAKR1C1SLC6A2
SCHEMBL923461 0.92 MAOA (0.48) MAOAMAOBKDM4EAKR1C1SLC6A2
SCHEMBL27677375 0.88 MAOA (0.45) MAOAMAOBKDM4ESLC6A2SLC6A4
SCHEMBL28475617 0.85 MAOA (0.47) MAOAMAOBKDM4ESLC6A2SLC6A4
SCHEMBL31117994 0.85 MEN1 (0.45) MAOAMAOBKDM4EMEN1KMT2A
SCHEMBL9875973 0.85 MAOA (0.42) MAOAMAOBKDM4ESLC6A2SLC6A4
SCHEMBL19182700 0.85 CYP2C19 (0.42) AKR1C1SLC6A2SLC6A4SLC6A3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021074279-A1 SPIRO-FUSED TRICYCLIC MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2021-04-22 WO disclosed
CN-109054648-A Serosity combination for chemically mechanical polishing LTCAM有限公司 2018-12-21 CN disclosed
US-9869027-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-16 US disclosed
CN-104520300-B Imidazo [1,2-b ] pyridazine derivatives as kinase inhibitors 第三共株式会社 2016-12-21 CN disclosed
US-20160230289-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2016-08-11 US disclosed
US-9340759-B2 Cleaning composition and method of manufacturing metal wiring using the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-05-17 US disclosed
US-20150136728-A1 CLEANING COMPOSITION AND METHOD OF MANUFACTURING METAL WIRING USING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-05-21 US disclosed
CN-104520300-A Imidazo [1,2-b ] pyridazine derivatives as kinase inhibitors DAIICHI SANKYO CO LTD 2015-04-15 CN disclosed
US-20140088102-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI PHARMA, INC. (US) 2014-03-27 US disclosed
EP-2691389-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES MEI Pharma, Inc. (US) 2014-02-05 EP disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
WO-2006041797-A2 ACYCLIC HYDRAZIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2006-04-20 WO disclosed
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators MERCK & CO., INC. (US) 2005-10-27 US disclosed
EP-1490043-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-29 EP disclosed
WO-2003082190-A2 SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-10-09 WO disclosed
US-6255285-B1 GASTROINTESTINAL DISORDERS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-03 US disclosed
EP-1006122-A1 PHENETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2000-06-07 EP disclosed
US-5049696-A Enzyme inhibitors MERCK & CO., INC. (US) 1991-09-17 US disclosed
US-4847306-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-07-11 US disclosed
EP-0245004-A2 Antihypercholesterolemic compounds MERCK & CO. INC. (US) 1987-11-11 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-20140088102-A1 (ALPHA-SUBSTITUTED CYCLOALKYLAMINO AND HETEROCYCLYLAMINO) PYRIMIDINYL AND 1,3,5-TRIAZINYL BENZIMIDAZOLES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR USE IN TREATING PROLIFERATIVE DISEASES CCNI, CCNA1, MKI67 MAOA 1509/4885MAOB 1172/4885KDM4E 3397/4885
US-20050239828-A1 Spirocyclic amides as cannabinoid receptor modulators CNR1, CNR2, MAG MAOA 982/4885MAOB 1383/4885KDM4E 3910/4885

“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.