Sugi Predict

Sugi Predict / Compounds / SCHEMBL5007239

SCHEMBL5007239

SCHEMBL5007239

O=C(OC1CCCCO1)[C@H]1CC[C@@H](OC2CCCCO2)CC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31

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
SCHEMBL8292742 1.00 MEN1 (0.32) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL28479907 0.90 KMT2A (0.36) MEN1KMT2A
SCHEMBL732890 0.86 SMN1; SMN2 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL11942479 0.86 SMN1; SMN2 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL1162010 0.86 SMN1; SMN2 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL31266111 0.83 MEN1 (0.36) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL17676825 0.83 MEN1 (0.36) MEN1KMT2A
SCHEMBL2016829 0.83 ALDH1A1 (0.44) MEN1KMT2A
SCHEMBL2800616 0.82 CCNA2 (0.33) MEN1KMT2ACCNA2CDK2CCNA1
SCHEMBL17676797 0.81 CHRM2 (0.42) 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
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-B1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO INC (US) 2007-01-10 — — EP disclosed
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists THOMPSON WAYNE (US) 2005-03-10 — — US 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 1538/4885CCNA2 3102/4885
US-20050054658-A1 4-Cycloalkylaminopyrazolo pyrimidine NMDA/NR2B antagonists GRIN2B, GRIN1, GRIN2A MEN1 4518/4885KMT2A 1370/4885CCNA2 2566/4885

“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.