SCHEMBL771695

SCHEMBL771695

[CH2]COC1CCCN(C(C)C)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
HRH3 Q9Y5N1 6/20 0.31
KCNH2 Q12809 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
SCHEMBL22251602 0.84 HRH3 (0.33) DRD2DRD3KDM2BHRH3KCNH2
SCHEMBL12026463 0.84 HRH3 (0.33) DRD2DRD3KDM2BHRH3KCNH2
SCHEMBL16996995 0.81 NPC1 (0.34) DRD2DRD3KDM2BHRH3
SCHEMBL16750032 0.81 TAAR1 (0.40) DRD2DRD3KDM2BHRH3
SCHEMBL18501630 0.78 HRH3 (0.31) DRD2DRD3HRH3
SCHEMBL19939282 0.78 HRH3 (0.38) KDM2BHRH3KCNH2
SCHEMBL12026428 0.77 KDM2B (0.37) DRD2DRD3KDM2BHRH3KCNH2
SCHEMBL771323 0.77 HRH3 (0.41) HRH3
SCHEMBL21476048 0.77 KDM2B (0.37) DRD2DRD3KDM2BHRH3KCNH2
SCHEMBL749969 0.77 KDM2B (0.37) DRD2DRD3KDM2BHRH3KCNH2

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 DRD2 4479/4885DRD3 4250/4885KDM2B 3166/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD2 4479/4885DRD3 4250/4885KDM2B 3166/4885

“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.