SCHEMBL522607

SCHEMBL522607

FC(F)(F)c1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.43
OPRM1 P35372 5/20 0.43
OPRD1 P41143 4/20 0.43
OPRL1 P41146 4/20 0.43
MAOB P27338 1/20 0.43
KIF11 P52732 1/20 0.42
CACNA1A O00555 2/20 0.41
CACNA2D1 P54289 2/20 0.41
CACNB1 Q02641 2/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
CYP2D6 P10635 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
NISCH Q9Y2I1 1/20 0.37
PTAFR P25105 1/20 0.37
MAOA P21397 1/20 0.36
ACP3 P15309 1/20 0.36

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
SCHEMBL10046459 0.85 PTAFR (0.42) OPRK1OPRM1OPRD1CYP2D6ALDH1A1
SCHEMBL522530 0.85 CYP19A1 (0.41) OPRK1OPRM1CYP2D6ALDH1A1PTAFR
SCHEMBL10046462 0.84 PTAFR (0.44) OPRK1OPRM1OPRD1OPRL1CACNA2D1
SCHEMBL10046468 0.83 MEN1 (0.46) OPRK1OPRM1NISCH
SCHEMBL522532 0.81 SLC6A3 (0.44) OPRK1OPRM1OPRD1OPRL1CYP2D6
SCHEMBL521671 0.81 PTAFR (0.45) OPRK1OPRM1OPRD1OPRL1MAOB
SCHEMBL10046463 0.79 OPRD1 (0.50) OPRK1OPRM1OPRD1OPRL1MAOB
SCHEMBL10046461 0.79 OPRL1 (0.45) OPRL1CYP2D6ALDH1A1PTAFR
SCHEMBL10046470 0.77 SLC6A3 (0.47) OPRK1OPRM1OPRD1OPRL1CACNA2D1
SCHEMBL10046467 0.77 ALDH1A1 (0.42) OPRK1OPRM1OPRD1OPRL1CACNA2D1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421836-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-29 EP claimed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US claimed
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 WO claimed
EP-2421836-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-29 EP disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
US-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES MSD K.K. (JP) 2012-02-02 US disclosed
WO-2010123150-A1 2-ARYL IMIDAZOLINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-10-28 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 (1 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-20120029041-A1 2-ARYL IMIDAZOLINE DERIVATIVES CLIC1, NAT1, NMRAL1 OPRK1 510/4885OPRM1 677/4885OPRD1 828/4885

“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.