SCHEMBL2449945

SCHEMBL2449945

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CCC(=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.61
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 4/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SCN5A Q14524 1/20 0.46
SCN3A Q9NY46 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
UCHL1 P09936 2/20 0.45
USP30 Q70CQ3 2/20 0.44
POLB P06746 1/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL2449941 1.00 SCN4A (0.61) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL3330572 0.90 SCN4A (0.59) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL3330577 0.90 SCN4A (0.59) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL3331106 0.88 SCN4A (0.58) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL3331101 0.88 SCN4A (0.58) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL7423990 0.87 KDM4E (0.61) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL12450708 0.82 SCN4A (0.53) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL13523761 0.81 NPC1 (0.53) SCN4ANPC1LMNANPSR1SMN1; SMN2
SCHEMBL2476806 0.80 KDM4E (0.54) SCN4ANPSR1SMN1; SMN2KDM4EMAPK1
SCHEMBL2848716 0.78 SMN1; SMN2 (0.60) SCN4ANPC1LMNANPSR1SMN1; SMN2

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-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
EP-2774927-A1 Inhibitors of HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2014-09-10 EP disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 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-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 SCN4A 3775/4885NPC1 368/4885LMNA 4459/4885

“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.