SCHEMBL771415

SCHEMBL771415

[CH2]CN1CCC[C@@H](OCCOC)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
DRD4 P21917 10/20 0.33
SIGMAR1 Q99720 10/20 0.33
TMEM97 Q5BJF2 6/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
JAK3 P52333 1/20 0.31

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
SCHEMBL24661418 0.85 CYP3A4 (0.41) NPC1DRD4SIGMAR1TMEM97L3MBTL1
SCHEMBL24661420 0.85 CYP3A4 (0.41) NPC1DRD4SIGMAR1TMEM97L3MBTL1
SCHEMBL771441 0.81 SIGMAR1 (0.35) NPC1DRD4SIGMAR1TMEM97L3MBTL1
SCHEMBL26981410 0.80 POLB (0.36) NPC1DRD4SIGMAR1TMEM97
SCHEMBL771960 0.80 POLB (0.36) NPC1DRD4SIGMAR1TMEM97
SCHEMBL8562136 0.80 BCHE (0.47) NPC1L3MBTL1
SCHEMBL14394397 0.80 CHRM5 (0.46) NPC1SIGMAR1JAK3
SCHEMBL22436112 0.77 SMN1; SMN2 (0.45) NPC1L3MBTL1
SCHEMBL14369074 0.77 SMN1; SMN2 (0.45) NPC1L3MBTL1
SCHEMBL14394399 0.76 NPC1 (0.35) NPC1DRD4

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 1131/4885DRD4 3838/4885SIGMAR1 3155/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPC1 1131/4885DRD4 3838/4885SIGMAR1 3155/4885

“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.