SCHEMBL14010489

SCHEMBL14010489

c1ccc(CCO[C@H]2CC[C@@H](Nc3ncnc4[nH]ncc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.56
HPGDS O60760 1/20 0.55
LMNA P02545 1/20 0.52
GRIN2B Q13224 6/20 0.51
KCNH2 Q12809 2/20 0.51
PAK1 Q13153 10/20 0.46
MAPK1 P28482 1/20 0.46
CYP2D6 P10635 1/20 0.45

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
SCHEMBL14010494 1.00 SLC29A1 (0.56) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL5006171 1.00 SLC29A1 (0.56) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL5006174 1.00 SLC29A1 (0.56) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL14036337 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL8291855 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL5007176 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL8291841 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL14010256 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL14010240 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2
SCHEMBL8291852 0.94 SLC29A1 (0.54) SLC29A1HPGDSLMNAGRIN2BKCNH2

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 4 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SLC29A1 1946/4885HPGDS 560/4885LMNA 2149/4885

“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.