SCHEMBL5006986

SCHEMBL5006986

O=C1CCC(NC(=O)O)C1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.37
MTNR1B P49286 8/20 0.37
THRB P10828 1/20 0.37
APOL1 O14791 1/20 0.32
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
ACHE P22303 3/20 0.31
TLR4 O00206 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5089466 1.00 MTNR1A (0.37) MTNR1AMTNR1BTHRBAPOL1CA1
SCHEMBL5091076 1.00 MTNR1A (0.37) MTNR1AMTNR1BTHRBAPOL1CA1
SCHEMBL23881931 0.88 THRB (0.46) THRBCYP3A4CYP2C9CYP2C19
SCHEMBL3485253 0.88 THRB (0.46) THRBCYP3A4CYP2C9CYP2C19
SCHEMBL743138 0.86 EPHX1 (0.36) TLR4CYP3A4CYP2C19
SCHEMBL3221585 0.86 THRB (0.41) THRBCYP3A4
SCHEMBL2634531 0.81
SCHEMBL4420636 0.81 MTNR1A (0.56) MTNR1AMTNR1BTHRBCA1CA2
SCHEMBL31551125 0.81 MTNR1A (0.36) MTNR1AMTNR1BTHRBAPOL1CA1
Acetic Acid SCHEMBL28266825 0.81 TLR4 (0.37) MTNR1AMTNR1BTHRBTLR4CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030857-B2 Glucose uptake inhibitors KADMON CORPORATION, LLC (US) 2024-07-09 US disclosed
WO-2024130095-A1 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2024-06-20 WO disclosed
EP-4384520-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND Uppthera, Inc. (KR) 2024-06-19 EP disclosed
EP-3822274-B1 SYNTHETIC INTERMEDIATES USEFUL FOR PREPARING SUBSTITUTED AMINOPURINE COMPOUNDS SIGNAL PHARM LLC (US) 2024-03-06 EP disclosed
EP-4277893-A1 INDOLE DERIVATIVES AS KINASE INHIBITORS GB005, Inc. (US) 2023-11-22 EP disclosed
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED 2023-10-05 US disclosed
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230174481-A1 KINASE INHIBITORS VIDYA THERAPEUTICS, INC. 2023-06-08 US disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
WO-2014074657-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-05-15 WO disclosed
WO-2014009302-A1 NOVEL INDAZOLES FOR THE TREATMENT AND PROPHYLAXIS OF RESPIRATORY SYNCYTIAL VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
WO-2013090929-A1 AMINO QUINOLINE DERIVATIVES INHIBITORS OF HCV GILEAD SCIENCES, INC. (US) 2013-06-20 WO disclosed
US-7452893-B2 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists MERCK & CO., INC. (US) 2008-11-18 US disclosed
US-20070037829-A1 e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients MERCK & CO., INC. (US) 2007-02-15 US disclosed
EP-1656379-B1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2007-01-10 EP disclosed
CN-1835953-A 4-Cycloalkylaminopyrazolopyrimidine NMDA/NR2B antagonists MERCK & CO INC (US) 2006-09-20 CN disclosed
EP-1656379-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS Merck & Co., Inc. (US) 2006-05-17 EP disclosed
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists THOMPSON WAYNE (US) 2005-03-10 US disclosed
WO-2005019221-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 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 (6 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-12030857-B2 Glucose uptake inhibitors SLC2A1, SLC2A4, SLC2A2 MTNR1A 3976/4885MTNR1B 3491/4885THRB 3058/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP MTNR1A 544/4885MTNR1B 668/4885THRB 3132/4885
US-20070037829-A1 e.g. trans-(4-Phenethyloxy-cyclohexyl)-(1H-pyrazolo[3,4-d]pyrimidin-4-yl)-amine; neurodegenerative disorders, analgesic, antidepressant, anxiolytic agent; Parkinson's disease, Alzheimer's disease, epilepsy, ischemic brain injury, stroke; with other active ingredients GRIN2B, GRIN3A, GRIN2A MTNR1A 204/4885MTNR1B 302/4885THRB 953/4885
US-20230174481-A1 KINASE INHIBITORS BTK, LYN, LCK MTNR1A 4361/4885MTNR1B 4177/4885THRB 1591/4885
US-20230312587-A1 PTERIDINONE COMPOUNDS AND USES THEREOF DPYD, PKD1, TYMP MTNR1A 461/4885MTNR1B 332/4885THRB 2102/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A MTNR1A 318/4885MTNR1B 267/4885THRB 782/4885

“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.