SCHEMBL8237349

SCHEMBL8237349

O=C1N(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.52
DRD3 P35462 5/20 0.49
RAB9A P51151 4/20 0.47
LARS1 Q9P2J5 1/20 0.47
CYP19A1 P11511 2/20 0.43
SLC6A3 Q01959 4/20 0.43
CYP3A4 P08684 3/20 0.43
ADORA3 P0DMS8 3/20 0.43
CYP2D6 P10635 3/20 0.43
HTR2A P28223 3/20 0.43
MAPK1 P28482 3/20 0.43
ADRA1A P35348 3/20 0.43
HRH1 P35367 3/20 0.43
OPRM1 P35372 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
MTOR P42345 3/20 0.43
HTR6 P50406 3/20 0.43
CACNA1C Q13936 3/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL4286289 0.89 DRD3 (0.52) DRD2DRD3RAB9ASLC6A3CYP3A4
SCHEMBL4285624 0.83 RAB9A (0.44) DRD2DRD3RAB9ACYP19A1SLC6A3
SCHEMBL4290152 0.78 CYP3A4 (0.48) DRD2DRD3RAB9ACYP19A1SLC6A3
SCHEMBL13899050 0.77 LARS1 (0.58) DRD2DRD3RAB9ALARS1CYP3A4
SCHEMBL13899052 0.76 LARS1 (0.56) DRD2DRD3RAB9ALARS1HRH1
SCHEMBL4283007 0.75 SCN5A (0.57) DRD2DRD3RAB9ASLC6A3CYP3A4
SCHEMBL4281549 0.75 LMNA (0.48) DRD2DRD3RAB9ASLC6A3CYP3A4
SCHEMBL4283782 0.74 HTR2A (0.47) DRD2DRD3RAB9ASLC6A3CYP3A4
SCHEMBL4281380 0.74 SCN5A (0.60) DRD2DRD3RAB9ASLC6A3CYP3A4
SCHEMBL4283324 0.74 LMNA (0.44) DRD2DRD3RAB9ACYP19A1SLC6A3

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 7 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 disclosed
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-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
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers PURDUE PHARMA L.P. (US) 2009-07-09 US 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 DRD2 573/4885DRD3 440/4885RAB9A 2414/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D DRD2 573/4885DRD3 440/4885RAB9A 2414/4885

“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.