SCHEMBL4283324

SCHEMBL4283324

O=C1N(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GFER P55789 1/20 0.44
DRD3 P35462 5/20 0.43
DRD2 P14416 4/20 0.43
OPRM1 P35372 4/20 0.43
HTR2A P28223 3/20 0.43
HTR2C P28335 3/20 0.43
ADRA1A P35348 3/20 0.43
HRH1 P35367 3/20 0.43
OPRD1 P41143 3/20 0.43
OPRK1 P41145 3/20 0.43
HTR6 P50406 3/20 0.43
SLC6A3 Q01959 3/20 0.43
CACNA1C Q13936 3/20 0.43
HTT P42858 3/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL13780825 0.92 DDB1 (0.46) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4752716 0.81 DRD3 (0.57) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4285624 0.81 RAB9A (0.44) LMNAMEN1KMT2AALDH1A1DRD3
SCHEMBL8233262 0.80 MEN1 (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4281572 0.80 MEN1 (0.42) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4281549 0.79 LMNA (0.48) LMNAMEN1KMT2AALDH1A1DRD3
SCHEMBL4290152 0.78 CYP3A4 (0.48) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4287552 0.78 GRIN1 (0.44) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4286289 0.76 DRD3 (0.52) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL4289771 0.75 MEN1 (0.51) LMNAMEN1KMT2AKDM4EALDH1A1

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 16 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-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-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
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
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 LMNA 3473/4885MEN1 2184/4885KMT2A 4032/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D LMNA 3473/4885MEN1 2184/4885KMT2A 4032/4885

“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.