SCHEMBL522532

SCHEMBL522532

Clc1ccc(C2=NCCN2C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.44
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
CHRM2 P08172 2/20 0.44
HTR1A P08908 2/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
DRD1 P21728 2/20 0.44
TBXA2R P21731 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
KCNH2 Q12809 2/20 0.44
BCL2 P10415 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
PTAFR P25105 1/20 0.44
CYP2D6 P10635 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 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
SCHEMBL10046470 0.95 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4CHRM2HTR1A
SCHEMBL10046459 0.89 PTAFR (0.42) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL522530 0.89 CYP19A1 (0.41) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL521671 0.85 PTAFR (0.45) PTAFRCYP2C19OPRM1OPRD1OPRK1
SCHEMBL10046462 0.85 PTAFR (0.44) DRD3PTAFRCA1CA2CA4
SCHEMBL522353 0.84 PTAFR (0.47) SLC6A3ADRA1APTAFRTSHRPTGS2
SCHEMBL10046463 0.82 OPRD1 (0.50) KCNH2CYP2D6TSHRCYP2C19NPSR1
SCHEMBL10046461 0.82 OPRL1 (0.45) SLC6A3PTAFRCYP2D6TSHRCYP2C19
SCHEMBL10046465 0.81 OPRM1 (0.44) OPRM1OPRD1OPRK1OPRL1CYP19A1
SCHEMBL522607 0.81 OPRK1 (0.43) PTAFRCYP2D6OPRM1OPRD1OPRK1

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 SLC6A3 864/4885SLC6A2 2028/4885SLC6A4 2610/4885

“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.