SCHEMBL5006989

SCHEMBL5006989

O=C(O[C@H]1C[N+]2(CCCOc3ccccc3F)CCC1CC2)N(Cc1ccc(F)cc1)c1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 20/20 0.57
CHRM3 P20309 20/20 0.57
CHRM1 P11229 19/20 0.57

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
SCHEMBL5006995 1.00 CHRM2 (0.57) CHRM2CHRM3CHRM1
SCHEMBL5011225 0.96 CHRM2 (0.61) CHRM2CHRM3CHRM1
SCHEMBL5011230 0.96 CHRM2 (0.61) CHRM2CHRM3CHRM1
SCHEMBL5006213 0.95 CHRM2 (0.55) CHRM2CHRM3CHRM1
SCHEMBL5006210 0.95 CHRM2 (0.55) CHRM2CHRM3CHRM1
SCHEMBL5009311 0.93 CHRM3 (0.67) CHRM2CHRM3CHRM1
SCHEMBL5009309 0.93 CHRM3 (0.67) CHRM2CHRM3CHRM1
SCHEMBL5009378 0.91 CHRM2 (0.52) CHRM2CHRM3CHRM1
SCHEMBL5009380 0.91 CHRM2 (0.52) CHRM2CHRM3CHRM1
SCHEMBL5009315 0.91 CHRM2 (0.55) CHRM2CHRM3CHRM1

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 86 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
WO-2023172737-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF KUMQUAT BIOSCIENCES INC. (US) 2023-09-14 WO disclosed
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2023-05-25 US disclosed
WO-2023086575-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2023-05-19 WO disclosed
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2023-02-28 US disclosed
WO-2023017442-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 WO disclosed
US-7452893-B2 4-cycloakylaminopyrazolo pyrimidine NMDA/NR2B antagonists MERCK & CO., INC. (US) 2008-11-18 US disclosed
US-7452904-B2 1-alkyl-1-azoniabicyclo' 2.2.2 octane carbamate derivatives and their use as muscarinic receptor antagonists CHIESI FARMACEUTICI S.P.A. (IT) 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
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
US-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists LABORATORIOS S.A.L.V.A.T. (ES) 2005-02-24 US disclosed
EP-1461336-A2 1-ALKYL-1-AZONIABICYCLO (2.2.2) OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2004-09-29 EP disclosed
WO-2003053966-A2 1-ALKYL-1-AZONIABICYCLO [2.2.2] OCTANE CARBAMATE DERIVATIVES AND THEIR USE AS MUSCARINIC RECEPTOR ANTAGONISTS LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-07-03 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 CHRM2 4875/4885CHRM3 4865/4885CHRM1 4860/4885
US-20230158035-A1 SUBSTITUTED AMINOPURINE COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, TYMP CHRM2 4307/4885CHRM3 4576/4885CHRM1 4191/4885
US-20050043349-A1 1-Alkyl-1-azoniabicyclo' 2.2.!octane carbamate derivatives and their use as muscarinic receptor antagonists CHRM2, CHRM3, CHRM1 CHRM2 1/4885CHRM3 2/4885CHRM1 3/4885
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 CHRM2 727/4885CHRM3 902/4885CHRM1 424/4885
US-11590139-B2 Substituted aminopurine compounds, compositions thereof, and methods of treatment therewith TPMT, MGMT, TYMP CHRM2 4307/4885CHRM3 4576/4885CHRM1 4191/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A CHRM2 1231/4885CHRM3 1361/4885CHRM1 932/4885

“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.