SCHEMBL772604

SCHEMBL772604

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 2/20 0.38
BCHE P06276 4/20 0.34
ACHE P22303 2/20 0.34
MAPT P10636 1/20 0.34
MAP4K4 O95819 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CHRM5 P08912 1/20 0.33
ADRA2C P18825 1/20 0.33
MAPK1 P28482 1/20 0.33
MAOB P27338 2/20 0.33
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL771961 1.00 NPSR1 (0.40) NPSR1RAB9ABCHEACHEMAPT
SCHEMBL771904 1.00 NPSR1 (0.40) NPSR1RAB9ABCHEACHEMAPT
SCHEMBL771706 0.94 CHRM5 (0.41) NPSR1RAB9ABCHEACHEMAPT
SCHEMBL770731 0.85 NPSR1 (0.38) NPSR1RAB9AACHEMAPTMEN1
SCHEMBL772549 0.84 CHRNB2 (0.32) NPSR1RAB9ABCHEACHEMAPT
SCHEMBL772654 0.84 PRKDC (0.35) NPSR1BCHEACHEMAPTALDH1A1
SCHEMBL771832 0.84 MAPT (0.32) NPSR1BCHEMAPTALDH1A1CHRM5
SCHEMBL772454 0.84 MAPT (0.32) NPSR1BCHEMAPTALDH1A1CHRM5
SCHEMBL771412 0.84 MAPT (0.32) NPSR1BCHEMAPTALDH1A1CHRM5
SCHEMBL7702796 0.82 NPSR1 (0.40) NPSR1RAB9ABCHEACHEMAPT

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 NPSR1 3973/4885RAB9A 2410/4885BCHE 2576/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 NPSR1 3973/4885RAB9A 2410/4885BCHE 2576/4885

“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.