SCHEMBL772159

SCHEMBL772159

[CH2]CN1CCC(CCC)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.40
GNAO1 P09471 2/20 0.40
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD2 P14416 2/20 0.35
CHRM3 P20309 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 1/20 0.35
NCF1 P14598 1/20 0.33
CYP1A2 P05177 1/20 0.33
ACHE P22303 1/20 0.31
KCNH2 Q12809 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA1D P25100 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
SCHEMBL3323819 0.83 GNAO1 (0.45) HRH3GNAO1MAOAMAOBCHRM2
SCHEMBL772033 0.81 NCF1 (0.36) HRH3GNAO1NCF1ACHE
SCHEMBL70799 0.81 HRH3 (0.46) HRH3GNAO1MAOAMAOBCHRM2
Fluoride SCHEMBL29252579 0.79 HRH3 (0.45) HRH3GNAO1MAOAMAOBCHRM2
SCHEMBL7741719 0.79 GNAO1 (0.49) HRH3GNAO1CHRM2CHRM4CHRM5
Hydrochloric Acid SCHEMBL30330895 0.79 HRH3 (0.45) HRH3GNAO1MAOAMAOBCHRM2
SCHEMBL21409707 0.77 ACHE (0.36) HRH3MAOBACHE
SCHEMBL17033949 0.77 ACHE (0.47) HRH3GNAO1CHRM5ACHE
Fluoride SCHEMBL30330474 0.77 GNAO1 (0.47) HRH3GNAO1CHRM2CHRM4CHRM5
SCHEMBL12718253 0.77 HTR4 (0.39) HRH3GNAO1MAOAMAOBCHRM2

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 8 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
US-7659263-B2 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2010-02-09 US 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
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US 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 (3 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 HRH3 4130/4885GNAO1 3798/4885MAOA 2994/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 HRH3 3341/4885GNAO1 2627/4885MAOA 1998/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 HRH3 4130/4885GNAO1 3798/4885MAOA 2994/4885

“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.