SCHEMBL4283301

SCHEMBL4283301

O=C1N(CCc2ccccc2)CCN1CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
USP2 O75604 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HTT P42858 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HDAC1 Q13547 1/20 0.55
DRD3 P35462 1/20 0.54
KCNH2 Q12809 1/20 0.54
SLC6A3 Q01959 1/20 0.53
SIGMAR1 Q99720 2/20 0.52
GSK3A P49840 1/20 0.52
GSK3B P49841 1/20 0.52
MGLL Q99685 1/20 0.52
CYP2D6 P10635 2/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL13504059 0.82 SLC6A3 (0.49) KMT2AMEN1USP2GAAMAPT
SCHEMBL17117358 0.81 SIGMAR1 (0.56) SLC6A3SIGMAR1GSK3AGSK3BPOLB
SCHEMBL11513541 0.80 NPC1 (0.58) KMT2AMEN1USP2GAAMAPT
SCHEMBL17912986 0.79 HDAC1 (0.69) KMT2AMEN1USP2GAAMAPT
SCHEMBL29450073 0.78 KMT2A (0.76) KMT2AMEN1L3MBTL1HDAC1DRD3
SCHEMBL16416392 0.78 KMT2A (0.76) KMT2AMEN1L3MBTL1HDAC1DRD3
SCHEMBL7454333 0.77 DRD3 (0.65) KMT2AMEN1L3MBTL1HDAC1DRD3
SCHEMBL2132367 0.77 L3MBTL1 (0.60) KMT2AMEN1USP2GAAMAPT
SCHEMBL4281294 0.77 POLB (0.51) KMT2AMEN1USP2GAAMAPT
SCHEMBL13503956 0.77 ADORA2B (0.44) KMT2AMEN1USP2GAAMAPT

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 5 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-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 KMT2A 4032/4885MEN1 2184/4885USP2 4601/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D KMT2A 4032/4885MEN1 2184/4885USP2 4601/4885

“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.