SCHEMBL5011348

SCHEMBL5011348

O=C(OC1CCCCO1)C1(OC2CCCCO2)CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL29078204 0.86 MAPT (0.34) MEN1KMT2AMAPT
SCHEMBL21826746 0.84 MAPT (0.35) MEN1KMT2AMAPT
SCHEMBL1857214 0.84 MAPT (0.35) MEN1KMT2AMAPT
SCHEMBL6354331 0.83 MEN1 (0.33) MEN1KMT2AMAPTCYP2C19
SCHEMBL30781006 0.82 MEN1 (0.33) MEN1KMT2A
SCHEMBL6348493 0.81 MEN1 (0.34) MEN1KMT2AMAPTCYP2C19
SCHEMBL29267044 0.79 ALDH1A1 (0.35) MEN1KMT2AMAPT
SCHEMBL21220297 0.78 MEN1 (0.37) MEN1KMT2A
SCHEMBL15527898 0.77 ALDH1A1 (0.39) MEN1KMT2AMAPT
SCHEMBL5568688 0.76 MEN1 (0.35) MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-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 MEN1 4190/4885KMT2A 1538/4885MAPT 56/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A MEN1 4518/4885KMT2A 1370/4885MAPT 473/4885

“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.