SCHEMBL4289774

SCHEMBL4289774

O=C1N(CC=Cc2ccccc2)CCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 6/20 0.51
LMNA P02545 6/20 0.51
OPRM1 P35372 6/20 0.51
CYP2D6 P10635 5/20 0.51
SLC6A3 Q01959 5/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
MAPK1 P28482 4/20 0.51
HIF1A Q16665 4/20 0.51
SLC6A4 P31645 4/20 0.51
HTR2A P28223 4/20 0.51
HTR2C P28335 4/20 0.51
ADRA1A P35348 4/20 0.51
HRH1 P35367 4/20 0.51
DRD3 P35462 4/20 0.51
CYP2C9 P11712 3/20 0.51
THPO P40225 3/20 0.51
ADORA3 P0DMS8 3/20 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
SCHEMBL4289771 1.00 MEN1 (0.51) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4286289 0.78 DRD3 (0.52) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4290152 0.77 CYP3A4 (0.48) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4283007 0.77 SCN5A (0.57) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4281380 0.76 SCN5A (0.60) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4283324 0.75 LMNA (0.44) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4283782 0.73 HTR2A (0.47) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4285624 0.73 RAB9A (0.44) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4654495 0.73 MEN1 (0.44) MEN1KMT2AMAPTLMNAOPRM1
SCHEMBL4281549 0.72 LMNA (0.48) MEN1KMT2AMAPTLMNAOPRM1

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 MEN1 2184/4885KMT2A 4032/4885MAPT 2612/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D MEN1 2184/4885KMT2A 4032/4885MAPT 2612/4885

“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.