SCHEMBL4287518

SCHEMBL4287518

O=C1N(CCC(c2ccccc2)c2ccccc2)CCN1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.60
DRD3 P35462 10/20 0.60
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
KCNH2 Q12809 6/20 0.50
ACHE P22303 1/20 0.48
HDAC1 Q13547 1/20 0.46
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45

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 0.82 DRD3 (0.52) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL14698020 0.79 DRD2 (0.65) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL6226262 0.79 DRD2 (0.65) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL5659037 0.79 DRD2 (0.65) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL7935881 0.76 DRD2 (0.61) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL10834524 0.76 DRD2 (0.61) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL11036699 0.76 DRD2 (0.91) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL6927206 0.76 DRD2 (0.61) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL12209953 0.76 S1PR1 (0.62) DRD2DRD3MEN1NPC1RAB9A
SCHEMBL7936545 0.75 DRD2 (0.60) DRD2DRD3MEN1NPC1RAB9A

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 DRD2 573/4885DRD3 440/4885MEN1 2184/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D DRD2 573/4885DRD3 440/4885MEN1 2184/4885

“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.