SCHEMBL4281380

SCHEMBL4281380

O=C1N(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CCN1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 2/20 0.60
DRD3 P35462 11/20 0.59
DRD2 P14416 10/20 0.59
ACHE P22303 2/20 0.50
HTR2A P28223 6/20 0.47
ADRA1A P35348 6/20 0.47
HRH1 P35367 6/20 0.47
OPRK1 P41145 6/20 0.47
SLC6A3 Q01959 6/20 0.47
OPRM1 P35372 5/20 0.47
HTR6 P50406 5/20 0.47
CACNA1C Q13936 5/20 0.47
ADORA3 P0DMS8 5/20 0.47
OPRD1 P41143 5/20 0.47
CYP3A4 P08684 4/20 0.47
CYP2D6 P10635 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
HTR2C P28335 4/20 0.47
MAPK1 P28482 3/20 0.47

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
SCHEMBL4283007 0.99 SCN5A (0.57) SCN5ADRD3DRD2ACHEHTR2A
SCHEMBL4290152 0.81 CYP3A4 (0.48) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL4284927 0.78 SCN5A (0.58) SCN5ADRD3DRD2ACHEHTR2A
SCHEMBL4283782 0.77 HTR2A (0.47) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL4286289 0.77 DRD3 (0.52) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL4285624 0.77 RAB9A (0.44) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL7295696 0.76 SCN5A (0.58) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL4289774 0.76 MEN1 (0.51) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL4289771 0.76 MEN1 (0.51) SCN5ADRD3DRD2HTR2AADRA1A
SCHEMBL8237349 0.74 DRD2 (0.52) SCN5ADRD3DRD2HTR2AADRA1A

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-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US claimed
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 EP claimed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 WO claimed
US-8354434-B2 Cyclourea compounds as calcium channel blockers PURDUE PHARMA L.P. (US) 2013-01-15 US disclosed
US-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2012-12-20 US disclosed
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US disclosed
EP-1987009-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2008-11-05 EP disclosed
WO-2007085357-A1 CYCLOUREA COMPOUNDS AS CALCIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2007-08-02 WO 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-20120322830-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D SCN5A 135/4885DRD3 440/4885DRD2 573/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D SCN5A 135/4885DRD3 440/4885DRD2 573/4885

“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.