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SCHEMBL5067941

SCHEMBL5067941

CCOC(=O)c1[nH]nc2c1CCN(c1ccc(NC(=O)OC(C)(C)C)cn1)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 2/20 0.38
▸ GRIN2D O15399 1/20 0.38
▸ GRIN3B O60391 1/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ GRIN2C Q14957 1/20 0.38
▸ GRIN3A Q8TCU5 1/20 0.38
▸ P2RY12 Q9H244 1/20 0.38
▸ ATM Q13315 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DGAT1 O75907 4/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ AURKA O14965 1/20 0.34

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
SCHEMBL3455980 0.89 CRBN (0.39) TRPV1WNT3ADDB1CRBNMAPT
SCHEMBL3456217 0.88 CRBN (0.39) TRPV1WNT3ADDB1CRBNMAPT
SCHEMBL5067943 0.78 XPO1 (0.44) ATMCRBNMAPTKDM4ENPSR1
SCHEMBL13070458 0.73 ADORA1 (0.53) ATMMAPTKDM4ENPSR1ALDH1A1
SCHEMBL1984304 0.71 TRPV1 (0.57) TRPV1WNT3ADDB1CRBNMAPT
SCHEMBL1810634 0.70 NAMPT (0.45) MAPTKDM4ENPSR1
SCHEMBL29301634 0.69 MAPT (0.61) WNT3AMAPTDGAT1
SCHEMBL22029691 0.67 ADORA1 (0.51) ATMDDB1CRBNMAPTNPSR1
SCHEMBL9909937 0.66 NAMPT (0.49) TRPV1WNT3AMAPTALDH1A1
SCHEMBL9909938 0.66 CNR2 (0.43) TRPV1DDB1CRBNMAPTKDM4E

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
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 — — EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 — — US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 — — US disclosed
US-7109340-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2006-09-19 — — US disclosed
US-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE AVENTIS PHARMA S.A. (FR) 2006-09-07 — — US disclosed
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2005-05-05 — — 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-20060199837-A1 SUBSTITUTED TETRAHYDRO-1H-PYRAZOLO [3,4-C]PYRIDINES COMPOSITIONS COMPRISING THEM, AND USE BRD4, TP53, HCCS TRPV1 2164/4885GRIN2D 2850/4885GRIN3B 827/4885
US-20050096345-A1 Substituted tetrahydro-1H-pyrazolo [3,4-c] pyridines, compositions comprising them, and use BRD4, TP53, HCCS TRPV1 1616/4885GRIN2D 2577/4885GRIN3B 634/4885

“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.