SCHEMBL771967

SCHEMBL771967

[CH2]C(=O)N1CCCC2CCCCC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HSD11B1 P28845 7/20 0.41
HSD17B1 P14061 1/20 0.40
DPP7 Q9UHL4 1/20 0.39
CNR2 P34972 1/20 0.39
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
SCD5 Q86SK9 1/20 0.35
SLC18A3 Q16572 1/20 0.34
GAA P10253 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
SCHEMBL770763 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL794610 0.83 NPC1 (0.53) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL2824467 0.81 NPC1 (0.56) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL769748 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL18312214 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL938422 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL3264155 0.79 POLB (0.53) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL13010235 0.79 NPC1 (0.50) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL12335228 0.79 POLB (0.53) NPC1RAB9ASMN1; SMN2POLBTDP1
SCHEMBL12308338 0.79 DPP7 (0.46) NPC1RAB9ASMN1; SMN2POLBTDP1

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-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-B1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC (JP) 2009-04-15 EP disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NPC1 1131/4885RAB9A 2410/4885SMN1; SMN2 4306/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPC1 1131/4885RAB9A 2410/4885SMN1; SMN2 4306/4885

“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.