SCHEMBL4032950

SCHEMBL4032950

CC1(C)OB(c2ccc(F)c(C(F)(F)F)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 9/20 0.49
LIPG Q9Y5X9 9/20 0.49
AR P10275 6/20 0.40
F2 P00734 1/20 0.40
F11 P03951 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
EGFR P00533 1/20 0.39
ROCK1 Q13464 1/20 0.39
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 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
SCHEMBL29465757 0.89 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL4426051 0.89 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL29847114 0.87 LPL (0.46) LPLLIPGF2F11PRSS1
SCHEMBL21853794 0.87 LPL (0.46) LPLLIPGF2F11PRSS1
SCHEMBL321493 0.87 LPL (0.49) LPLLIPGF2F11PRSS1
SCHEMBL30692214 0.86 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL26923911 0.86 LPL (0.47) LPLLIPGF2F11PRSS1
SCHEMBL20875541 0.84 LPL (0.46) LPLLIPGF2F11PRSS1
SCHEMBL19031772 0.83 LPL (0.45) LPLLIPGF2F11PRSS1
SCHEMBL18530597 0.83 LPL (0.45) LPLLIPGF2F11PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3398945-B1 PYRIMIDINYL DERIVATIVES AND THEIR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2022-11-02 EP disclosed
EP-3392247-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-29 EP disclosed
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
EP-3459943-B1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-22 EP disclosed
US-10668067-B2 Pyridine sulfonamides AMGEN INC. (US) 2020-06-02 US disclosed
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2019-07-04 US disclosed
US-20190167682-A1 PYRIDINE SULFONAMIDES AMGEN INC. (US) 2019-06-06 US disclosed
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2019-05-07 US disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed
EP-3459943-A1 PYRIMIDINE-BASED ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-03-27 EP disclosed
US-6683097-B2 AFFINITY TO NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR SUBTYPE SELECTIVE BLOCKERS; MEDIATING PROCESSES UNDERLYING DEVELOPMENT OF CENTRAL NERVOUS SYSTEM AS WELL AS LEARNING AND MEMORY FORMATION HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
US-6667335-B2 NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease EVOTEC INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030187268-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-6610723-B2 Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020151715-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2002-10-17 US disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 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 (8 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-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease GRIN1, GRIN2B, GRIN3B LPL 4442/4885LIPG 4647/4885AR 3226/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A LPL 4830/4885LIPG 4752/4885AR 4428/4885
US-10278972-B2 Thienopyrimidine derivatives, a process for their preparation and pharmaceutical compositions containing them TYMS, TYMP, TPX2 LPL 4515/4885LIPG 4399/4885AR 2623/4885
US-20190167682-A1 PYRIDINE SULFONAMIDES TRPV1, TRPA1, TRPV5 LPL 4322/4885LIPG 4663/4885AR 3643/4885
US-10668067-B2 Pyridine sulfonamides TRPV1, TRPA1, TRPV5 LPL 4322/4885LIPG 4663/4885AR 3643/4885
US-20190201404-A1 THIENOPYRIMIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TYMS, TYMP, TPX2 LPL 4515/4885LIPG 4399/4885AR 2623/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C LPL 4626/4885LIPG 4808/4885AR 599/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A LPL 4830/4885LIPG 4752/4885AR 4428/4885

“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.