SCHEMBL771706

SCHEMBL771706

[CH2]CN1CCCCC(COC)C1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.41
ADRA2C P18825 1/20 0.41
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 2/20 0.34
ACHE P22303 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAP4K4 O95819 1/20 0.31
BCHE P06276 1/20 0.31
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 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
SCHEMBL772604 0.94 NPSR1 (0.40) CHRM5ADRA2CNPSR1RAB9AACHE
SCHEMBL771904 0.94 NPSR1 (0.40) CHRM5ADRA2CNPSR1RAB9AACHE
SCHEMBL771961 0.94 NPSR1 (0.40) CHRM5ADRA2CNPSR1RAB9AACHE
SCHEMBL770731 0.80 NPSR1 (0.38) NPSR1RAB9AACHEMEN1KMT2A
SCHEMBL20262747 0.80
SCHEMBL772549 0.80 CHRNB2 (0.32) NPSR1RAB9AACHEBCHEMAPT
SCHEMBL772454 0.79 MAPT (0.32) CHRM5ADRA2CNPSR1ALDH1A1BCHE
SCHEMBL772654 0.79 PRKDC (0.35) CHRM5ADRA2CNPSR1ACHEALDH1A1
SCHEMBL771832 0.79 MAPT (0.32) CHRM5ADRA2CNPSR1ALDH1A1BCHE
SCHEMBL771412 0.79 MAPT (0.32) CHRM5ADRA2CNPSR1ALDH1A1BCHE

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 CHRM5 4875/4885ADRA2C 4348/4885NPSR1 3973/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 CHRM5 4875/4885ADRA2C 4348/4885NPSR1 3973/4885

“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.