SCHEMBL76756

SCHEMBL76756

CC(C)(C)OC(=O)N1C[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C(=O)Nc1ccc(N2CCOCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.51
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL3103885 0.90 F10 (0.53) F10HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL4202155 0.89 F10 (0.45) F10NPC1HTTMAPTALDH1A1
SCHEMBL5605979 0.87 F10 (0.50) F10HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL76719 0.86 F10 (0.68) F10MAPT
SCHEMBL76720 0.86 F10 (0.68) F10MAPT
SCHEMBL85609 0.85 F10 (0.48) F10HTTMAPTALDH1A1SMN1; SMN2
SCHEMBL77720 0.84 F10 (0.60) F10NPC1MAPT
SCHEMBL76354 0.81 F10 (0.57) F10NPC1MAPTALDH1A1POLB
SCHEMBL8314192 0.81 F10 (0.59) F10NPC1MAPTPOLBCYP2C19
SCHEMBL76575 0.81 F10 (0.69) F10NPC1MAPTPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129373-B2 Carbonyl compounds MERCK PATENT GMBH (DE) 2012-03-06 US disclosed
EP-1720844-B1 PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES MERCK PATENT GMBH (DE) 2009-04-29 EP disclosed
US-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof MERCK PATENT GMBH (DE) 2008-01-03 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-20080003214-A1 Medicaments Comprising Carbonyl Compounds, And The Use Thereof F2, PDHX, SDHB F10 22/4885NPC1 1383/4885HTT 2177/4885

“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.