SCHEMBL10046470

SCHEMBL10046470

Clc1ccc(C(c2ccccc2)N2CCN=C2c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A4 P31645 3/20 0.47
CHRM2 P08172 2/20 0.47
HTR1A P08908 2/20 0.47
ADRA2A P08913 2/20 0.47
CHRM1 P11229 2/20 0.47
DRD1 P21728 2/20 0.47
TBXA2R P21731 2/20 0.47
ADRA1A P35348 2/20 0.47
DRD3 P35462 2/20 0.47
KCNH2 Q12809 2/20 0.47
BCL2 P10415 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
CYP2D6 P10635 2/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL522532 0.95 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4CHRM2HTR1A
SCHEMBL522530 0.91 CYP19A1 (0.41) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL10046459 0.88 PTAFR (0.42) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL522353 0.86 PTAFR (0.47) SLC6A3ADRA1ATSHROPRM1SMN1; SMN2
SCHEMBL10046467 0.85 ALDH1A1 (0.42) ADRA1AKCNH2TDP1NPSR1OPRM1
SCHEMBL10046465 0.83 OPRM1 (0.44) OPRM1CYP19A1OPRD1OPRK1OPRL1
SCHEMBL521671 0.81 PTAFR (0.45) CYP2C19OPRM1ALDH1A1CYP3A4OPRD1
SCHEMBL10046462 0.81 PTAFR (0.44) DRD3OPRM1OPRD1OPRK1OPRL1
SCHEMBL10046472 0.79 OPRK1 (0.45) SLC6A3SLC6A2SLC6A4CHRM2ADRA2A
SCHEMBL10046461 0.78 OPRL1 (0.45) SLC6A3CYP2D6TSHRCYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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.