SCHEMBL4583683

SCHEMBL4583683

CC(C)(C)OC(=O)NCCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
SIGMAR1 Q99720 3/20 0.63
IDO1 P14902 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 2/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
GAA P10253 2/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MMP8 P22894 1/20 0.55
EPHX2 P34913 1/20 0.54
MEN1 O00255 1/20 0.54
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP9 P14780 1/20 0.53
CHRNB2 P17787 1/20 0.53

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
SCHEMBL4961185 0.95 SIGMAR1 (0.62) POLBSIGMAR1IDO1KMT2AGAA
SCHEMBL12333754 0.94 SIGMAR1 (0.58) POLBSIGMAR1IDO1L3MBTL1KMT2A
SCHEMBL22102023 0.94 NPSR1 (0.61) POLBSIGMAR1IDO1KMT2AGAA
SCHEMBL5468072 0.94 NPSR1 (0.61) POLBSIGMAR1IDO1KMT2AGAA
SCHEMBL12329858 0.91 SIGMAR1 (0.57) POLBSIGMAR1IDO1L3MBTL1KMT2A
SCHEMBL572740 0.90 IDO1 (0.60) SIGMAR1IDO1CYP2C9CYP2C19GAA
SCHEMBL24815312 0.90 SIGMAR1 (0.58) POLBSIGMAR1IDO1L3MBTL1KMT2A
SCHEMBL16808347 0.88 MAPT (0.59) POLBSIGMAR1IDO1L3MBTL1NPSR1
SCHEMBL6274138 0.88 NPSR1 (0.56) POLBSIGMAR1IDO1KMT2AHPGD
SCHEMBL4656567 0.87 S1PR1 (0.60) POLBSIGMAR1IDO1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US claimed
US-20230312536-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF RAZE THERAPEUTICS, INC. 2023-10-05 US disclosed
US-11634412-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof RAZE THERAPEUTICS, INC. (US) 2023-04-25 US disclosed
WO-2018154466-A1 DIHYDROQUINOLIZINONES AS ANTIVIRALS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-08-30 WO disclosed
CN-102859439-B Positive radiation-sensitive composition, display element interlayer dielectric and forming method thereof JSR株式会社 2017-06-30 CN disclosed
US-9598384-B2 3-(2-amino-ethyl)-alkylidene)-thiazolidine-2,4-dione and 1-(2-amino-ethyl)-alkylidene-1,3-dihydro-indol-2-one derivatives as selective sphingosine kinase 2 inhibitors VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-03-21 US disclosed
US-20160159758-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS UNIV VIRGINIA COMMONWEALTH (US) 2016-06-09 US disclosed
CN-103119031-B Substituted amide compounds ASTELLAS PHARMA INC 2015-01-14 CN disclosed
CN-104220421-A Sulfonamide derivatives of benzylamine for the treatment of central nervous system disorders ADAMED SP ZOO 2014-12-17 CN disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
CN-1251586-A Noval pyrimidine derivatives and process and preparing thereof YUHAN CORP (KR) 2000-04-26 CN disclosed
US-5801183-A HETEROCYCLC ALCOHOLS FOR NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1998-09-01 US disclosed
EP-0805809-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS State of Oregon through Oregon State Board of Higher Education for and on behalf of Oregon Health Sc. Univ. & Univ. of Oregon (US) 1997-11-12 EP disclosed
WO-1996022990-A2 AZA AND AZA (N-OXY) ANALOGS OF GLYCINE/NMDA RECEPTOR ANTAGONISTS STATE OF OREGON, acting by and through THE OREGON STATE BOARD OF HIGHER EDUCATION, acting for and onbehalf of THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE, OREGON (US) 1996-08-01 WO disclosed
US-5475008-A Selective non-competitive antagonists of n-methyl-d-aspartate receptors MERCK SHARP & DOHME LIMITED (GB) 1995-12-12 US disclosed
EP-0459561-B1 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME (GB) 1995-09-20 EP disclosed
EP-0614363-A1 QUINOLONE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-09-14 EP disclosed
US-5268378-A Oxo group in 2 and 4 position MERCK SHARP & DOHME, LIMITED (GB) 1993-12-07 US disclosed
WO-1993010783-A2 QUINOLONE DERIVATIVES AND THEIR USE AS AMPA AND NMDA RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1993-06-10 WO disclosed
EP-0459561-A2 Dioxo-tetrahydroquinoline derivatives MERCK SHARP & DOHME LTD. (GB) 1991-12-04 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 (3 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-11634412-B2 3-phosphoglycerate dehydrogenase inhibitors and uses thereof PHGDH, G6PD, PGD POLB 677/4885SIGMAR1 4750/4885IDO1 2084/4885
US-20160159758-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS SPHK2, SPHK1, S1PR2 POLB 3760/4885SIGMAR1 2249/4885IDO1 533/4885
US-20230312536-A1 3-PHOSPHOGLYCERATE DEHYDROGENASE INHIBITORS AND USES THEREOF PHGDH, G6PD, PGD POLB 677/4885SIGMAR1 4750/4885IDO1 2084/4885

“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.