SCHEMBL429857

SCHEMBL429857

[CH2]CNCCOc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.70
DRD2 P14416 12/20 0.70
DRD3 P35462 9/20 0.70
GAA P10253 1/20 0.61
HTR1B P28222 2/20 0.59
HTR1D P28221 1/20 0.59
HTR1A P08908 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
KCNA3 P22001 1/20 0.54

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
SCHEMBL9330561 0.94 DRD4 (0.74) DRD4DRD2DRD3GAAHTR1B
SCHEMBL8938905 0.87 DRD4 (0.91) DRD4DRD2DRD3GAAHTR1B
SCHEMBL6848398 0.86 DRD4 (0.74) DRD4DRD2DRD3GAAHTR1B
SCHEMBL8773767 0.86 LTA4H (0.59) DRD4DRD2DRD3GAA
SCHEMBL11896615 0.83 DRD4 (1.00) DRD4DRD2DRD3GAAHTR1B
Hydrochloric Acid SCHEMBL8055377 0.81 DRD4 (0.96) DRD4DRD2DRD3GAAHTR1B
SCHEMBL8773760 0.81 LTA4H (0.65) DRD4DRD2DRD3
SCHEMBL10476759 0.80 DRD4 (0.95) DRD4DRD2DRD3GAAHTR1B
SCHEMBL11410999 0.79 DRD4 (0.70) DRD4DRD2DRD3GAAHTR1B
SCHEMBL2255625 0.79 DRD4 (0.70) DRD4DRD2DRD3GAAHTR1B

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 14 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-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-01-26 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-2200989-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2010-06-30 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
WO-2009036144-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-19 WO disclosed
US-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2009-03-12 US disclosed
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2009-02-05 US 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
EP-1688420-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2006-08-09 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 (6 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 DRD4 3838/4885DRD2 4479/4885DRD3 4250/4885
US-20090069300-A1 ISOQUINOLINYL AND ISOINDOLINYL DERIVATIVES AS HISTAMINE-3 ANTAGONISTS HRH4, HRH3, HRH2 DRD4 595/4885DRD2 255/4885DRD3 161/4885
US-20090036444-A1 5-5-Membered fused heterocyclic compound and use thereof as HCV polymerase inhibitor GTF3C5, ZC3HAV1, POLI DRD4 2973/4885DRD2 4246/4885DRD3 3842/4885
US-20120020920-A1 5-5-MEMBERED FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR GTF3C5, ZC3HAV1, POLI DRD4 2973/4885DRD2 4246/4885DRD3 3842/4885
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 DRD4 1199/4885DRD2 2474/4885DRD3 2401/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 DRD4 3838/4885DRD2 4479/4885DRD3 4250/4885

“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.