SCHEMBL772549

SCHEMBL772549

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
MAPT P10636 1/20 0.31
GBA1 P04062 2/20 0.30
UGCG Q16739 2/20 0.30
GBA2 Q9HCG7 2/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL772604 0.84 NPSR1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1
SCHEMBL771904 0.84 NPSR1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1
SCHEMBL771961 0.84 NPSR1 (0.40) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1
SCHEMBL771832 0.83 MAPT (0.32) NPSR1BCHEMAPT
SCHEMBL771412 0.83 MAPT (0.32) NPSR1BCHEMAPT
SCHEMBL772454 0.83 MAPT (0.32) NPSR1BCHEMAPT
SCHEMBL772654 0.83 PRKDC (0.35) CHRNB2CHRNB4CHRNA3CHRNA4NPSR1
SCHEMBL772436 0.81 HRH3 (0.35) BCHEMAPT
SCHEMBL771706 0.80 CHRM5 (0.41) NPSR1BCHEACHEMAPTRAB9A
SCHEMBL27267690 0.77 CCR2 (0.36) ACHE

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 CHRNB2 4884/4885CHRNB4 4879/4885CHRNA3 4868/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRNB2 4884/4885CHRNB4 4879/4885CHRNA3 4868/4885

“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.