SCHEMBL4287552

SCHEMBL4287552

O=c1n(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc2n1Cc1ccccn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 5/20 0.44
GRIN2B Q13224 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
GABRA5 P31644 4/20 0.41
GABRA1 P14867 3/20 0.41
GNRHR P30968 1/20 0.41
LMNA P02545 3/20 0.41
OPRM1 P35372 3/20 0.41
MLNR O43193 2/20 0.41
GMNN O75496 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 2/20 0.41
CYP1A2 P05177 2/20 0.41
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
CYP3A4 P08684 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
CYP2D6 P10635 2/20 0.41
MAPT P10636 2/20 0.41

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
SCHEMBL13780829 0.92 GABRA5 (0.45) GRIN1GRIN2BMEN1KMT2AGABRA5
SCHEMBL4285362 0.83 CYP19A1 (0.42) GRIN1GRIN2BMEN1KMT2ALMNA
SCHEMBL4281542 0.81 LMNA (0.47) GRIN1GRIN2BGABRA5GABRA1GNRHR
SCHEMBL4283324 0.78 LMNA (0.44) MEN1KMT2ALMNAOPRM1MLNR
SCHEMBL4752716 0.77 DRD3 (0.57) MEN1KMT2ALMNAOPRM1MLNR
SCHEMBL4288888 0.76 LMNA (0.43) MEN1KMT2ALMNAOPRM1MLNR
SCHEMBL4281572 0.75 MEN1 (0.42) MEN1KMT2ALMNAOPRM1MLNR
SCHEMBL8233262 0.75 MEN1 (0.42) MEN1KMT2ALMNAOPRM1MLNR
SCHEMBL4284927 0.75 SCN5A (0.58) MEN1KMT2ALMNAOPRM1MLNR
SCHEMBL7265242 0.73 GABRA5 (0.46) GRIN1GRIN2BGABRA5GABRA1LMNA

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 14 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
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 GRIN1 337/4885GRIN2B 393/4885MEN1 2184/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D GRIN1 337/4885GRIN2B 393/4885MEN1 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.