SCHEMBL8233262

SCHEMBL8233262

O=C1N(Cc2ccccn2)[C@@H]2C[C@@H]2N1CCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
OPRM1 P35372 5/20 0.41
LMNA P02545 5/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GFER P55789 1/20 0.40
PKM P14618 1/20 0.39
DRD3 P35462 6/20 0.39
DRD2 P14416 4/20 0.39
HTR2A P28223 4/20 0.39
ADRA1A P35348 4/20 0.39
HRH1 P35367 4/20 0.39
OPRD1 P41143 4/20 0.39
OPRK1 P41145 4/20 0.39
HTR6 P50406 4/20 0.39
SLC6A3 Q01959 4/20 0.39
CACNA1C Q13936 4/20 0.39
HTR2C P28335 3/20 0.39
ADORA3 P0DMS8 3/20 0.39

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
SCHEMBL4281572 1.00 MEN1 (0.42) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL13780827 0.92 ALDH1A1 (0.42) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL4283324 0.80 LMNA (0.44) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL4289800 0.77 CYP3A4 (0.43) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL4752716 0.77 DRD3 (0.57) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL4287552 0.75 GRIN1 (0.44) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL13780825 0.71 DDB1 (0.46) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL8236341 0.71 SLC6A3 (0.43) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL4289692 0.71 SLC6A3 (0.43) MEN1KMT2AOPRM1LMNAKDM4E
SCHEMBL4291616 0.68 CYP3A4 (0.43) MEN1KMT2AOPRM1LMNAKDM4E

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 MEN1 2184/4885KMT2A 4032/4885OPRM1 377/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D MEN1 2184/4885KMT2A 4032/4885OPRM1 377/4885

“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.