SCHEMBL3940103

SCHEMBL3940103

Nc1cc(C(=O)O)cc(-c2ncco2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.46
GLRB P48167 1/20 0.46
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
HPGDS O60760 1/20 0.41
HDAC4 P56524 1/20 0.39

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
SCHEMBL2527622 0.82 GLRA3 (0.68) GLRA3GLRBHDAC4LTA4HKDM4E
SCHEMBL20256885 0.81 GLRA3 (0.49) GLRA3GLRBHPGDSHDAC4LTA4H
SCHEMBL10212048 0.78 GLRA3 (0.43) GLRA3GLRBGABRPGABRDGABRA1
SCHEMBL475508 0.78 GLRA3 (0.70) GLRA3GLRBHPGDSHDAC4LTA4H
SCHEMBL19928407 0.78 GLRA3 (0.46) GLRA3GLRBHPGDSHDAC4LTA4H
SCHEMBL15131324 0.78 GLRA3 (0.46) GLRA3GLRBHPGDSHDAC4LTA4H
SCHEMBL3640416 0.77 GLRA3 (0.50) GLRA3GLRBHPGDSHDAC4LTA4H
SCHEMBL16635585 0.77 HPGDS (0.38) GLRA3GLRBHPGDSHDAC4LTA4H
SCHEMBL3941218 0.77 GLRA3 (0.42) GLRA3GLRBHPGDSLTA4HALDH1A1
SCHEMBL2987594 0.77 DHODH (0.50) GLRA3GLRBHPGDSLTA4HKDM4E

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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
WO-2008009750-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP GLRA3 3928/4885GLRB 1655/4885GABRP 317/4885
US-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP GLRA3 3696/4885GLRB 1381/4885GABRP 182/4885

“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.