SCHEMBL3736622

SCHEMBL3736622

CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(CN(Cc2ccc(NC(=O)C3CCCN3)cc2)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.54
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SCN9A Q15858 2/20 0.47
SCN3A Q9NY46 1/20 0.47
SCN5A Q14524 1/20 0.47
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR1 P32246 2/20 0.43
JAK2 O60674 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3736620 1.00 NPC1 (0.54) NPC1MEN1KMT2ASCN9ASCN3A
SCHEMBL628425 1.00 NPC1 (0.54) NPC1MEN1KMT2ASCN9ASCN3A
SCHEMBL13125097 0.92 NPC1 (0.63) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13125335 0.89 NPC1 (0.59) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13125332 0.86 NPC1 (0.54) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13150256 0.85 NPC1 (0.61) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13125030 0.83 NPC1 (0.65) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13125065 0.83 NPC1 (0.65) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13125458 0.83 NPC1 (0.55) NPC1MEN1KMT2ALMNANPSR1
SCHEMBL13125098 0.83 SCN3A (0.45) SCN9ASCN3AHDAC8

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-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
EP-2419404-B1 ANTI-VIRAL COMPOUNDS ABBVIE INC (US) 2015-11-04 EP disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS NPC1 81/4885MEN1 4681/4885KMT2A 4093/4885

“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.