SCHEMBL4285362

SCHEMBL4285362

O=c1n(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)c2ccccc2n1Cc1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
NPSR1 Q6W5P4 4/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
ADRA1A P35348 3/20 0.41
HRH1 P35367 3/20 0.41
OPRM1 P35372 3/20 0.41
DRD3 P35462 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
HTR6 P50406 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CACNA1C Q13936 3/20 0.41
MEN1 O00255 2/20 0.41
MLNR O43193 2/20 0.41
GMNN O75496 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
SCHEMBL4281542 0.88 LMNA (0.47) NPSR1LMNAHTTGRIN1GRIN2B
SCHEMBL4288888 0.84 LMNA (0.43) CYP19A1NPSR1LMNAHTTTP53
SCHEMBL4287552 0.83 GRIN1 (0.44) CYP19A1NPSR1LMNAHTTTP53
SCHEMBL4284927 0.76 SCN5A (0.58) NPSR1LMNAHTTTP53SMN1; SMN2
SCHEMBL4285624 0.74 RAB9A (0.44) CYP19A1NPSR1LMNAHTTTP53
SCHEMBL13780829 0.74 GABRA5 (0.45) CYP19A1MEN1MAPTKMT2AGRIN1
SCHEMBL11138210 0.71 L3MBTL1 (0.52) LMNAHTTTP53MEN1KMT2A
SCHEMBL11138079 0.71 L3MBTL1 (0.51) LMNAHTTTP53MEN1KMT2A
SCHEMBL24406022 0.70 ALDH1A1 (0.59) LMNAHTTSMN1; SMN2MEN1CYP1A2
SCHEMBL1152078 0.70 CACNA1G (0.55) NPSR1LMNAHTTTP53SMN1; SMN2

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 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-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

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 CYP19A1 4534/4885NPSR1 107/4885LMNA 3473/4885
US-20090176838-A1 Cyclourea Compounds as Calcium Channel Blockers CACNA1E, CACNA1B, CACNA1D CYP19A1 4534/4885NPSR1 107/4885LMNA 3473/4885

“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.