SCHEMBL522257

SCHEMBL522257

COc1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.47
OPRM1 P35372 4/20 0.45
OPRD1 P41143 4/20 0.45
OPRK1 P41145 4/20 0.45
OPRL1 P41146 3/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
SLC6A3 Q01959 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
CYP19A1 P11511 1/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
CACNA2D1 P54289 2/20 0.41
CACNA1B Q00975 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
SCHEMBL10046464 0.85 NPC1 (0.54) CA1CA2CA4CA7SMN1; SMN2
SCHEMBL10046459 0.85 PTAFR (0.42) PTAFROPRM1OPRD1OPRK1CA1
SCHEMBL522530 0.85 CYP19A1 (0.41) PTAFROPRM1OPRK1CA1CA2
SCHEMBL521671 0.84 PTAFR (0.45) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL10046468 0.83 MEN1 (0.46) OPRM1OPRK1KMT2AMEN1
SCHEMBL10046461 0.82 OPRL1 (0.45) PTAFROPRL1CA1CA2CA4
SCHEMBL522532 0.81 SLC6A3 (0.44) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL10046462 0.81 PTAFR (0.44) PTAFROPRM1OPRD1OPRK1OPRL1
SCHEMBL10046469 0.81 CYP19A1 (0.47) OPRM1OPRD1OPRK1OPRL1SLC6A3
SCHEMBL10046467 0.80 ALDH1A1 (0.42) PTAFROPRM1OPRD1OPRK1OPRL1

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 6 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
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

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 PTAFR 4849/4885OPRM1 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.