SCHEMBL4285624

SCHEMBL4285624

O=C1N(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1Cc1ccncc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
DRD3 P35462 5/20 0.42
HTR2A P28223 4/20 0.42
ADRA1A P35348 4/20 0.42
HRH1 P35367 4/20 0.42
OPRM1 P35372 4/20 0.42
OPRK1 P41145 4/20 0.42
HTR6 P50406 4/20 0.42
SLC6A3 Q01959 4/20 0.42
CACNA1C Q13936 4/20 0.42
ADORA3 P0DMS8 3/20 0.42
OPRD1 P41143 3/20 0.42
CACNA1F O60840 3/20 0.42
DRD4 P21917 3/20 0.42
DRD5 P21918 3/20 0.42
HRH2 P25021 3/20 0.42
ADRA1D P25100 3/20 0.42
HTR7 P34969 3/20 0.42
ADRA1B P35368 3/20 0.42
CACNA1D Q01668 3/20 0.42

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
SCHEMBL4281549 0.86 LMNA (0.48) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL8237349 0.83 DRD2 (0.52) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4283324 0.81 LMNA (0.44) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4290152 0.78 CYP3A4 (0.48) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4283007 0.78 SCN5A (0.57) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4281380 0.77 SCN5A (0.60) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4282157 0.76 ALDH1A1 (0.55) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4285362 0.74 CYP19A1 (0.42) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4283782 0.74 HTR2A (0.47) RAB9ADRD3HTR2AADRA1AHRH1
SCHEMBL4286289 0.74 DRD3 (0.52) RAB9ADRD3HTR2AADRA1AHRH1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354434-B2 Cyclourea compounds as calcium channel blockers PURDUE PHARMA L.P. (US) 2013-01-15 US claimed
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 RAB9A 2414/4885DRD3 440/4885HTR2A 2172/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D RAB9A 2414/4885DRD3 440/4885HTR2A 2172/4885

“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.