SCHEMBL19853628

SCHEMBL19853628

ClCCN(CCOc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
SLC22A2 O15244 1/20 0.54
SLC22A1 O15245 1/20 0.54
SLC22A3 O75751 1/20 0.54
ESR1 P03372 1/20 0.54
CHRM2 P08172 1/20 0.54
HTR1A P08908 1/20 0.54
ADRA2A P08913 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
CHRM3 P20309 1/20 0.54

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
Hydrochloric Acid SCHEMBL7276851 0.98 TSHR (0.55) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL9112270 0.89 LTA4H (0.57) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL1333160 0.89 KCNA3 (0.52) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL373667 0.83 OPRM1 (0.48) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL13406737 0.83 ABCB1 (0.56) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL479112 0.81 OPRM1 (0.47) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL144177 0.81 OPRM1 (0.50) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
Bromide SCHEMBL8961491 0.81 OPRM1 (0.47) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL9504529 0.81 MEN1 (0.48) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6
SCHEMBL6566740 0.80 KCNA3 (0.56) TSHRSMN1; SMN2ALDH1A1CYP1A2CYP2D6

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-10722479-B2 Dimethoxyphenyl inhibitors of vesicular monoamine transporter 2 AUSPEX PHARMACEUTICALS, INC. (US) 2020-07-28 US disclosed
US-20180036260-A1 DIMETHOXYPHENYL INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 AUSPEX PHARMACEUTICALS, INC. 2018-02-08 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-10722479-B2 Dimethoxyphenyl inhibitors of vesicular monoamine transporter 2 SLC18A2, SLC6A2, SLC6A3 TSHR 1860/4885SMN1; SMN2 2076/4885ALDH1A1 968/4885
US-20180036260-A1 DIMETHOXYPHENYL INHIBITORS OF VESICULAR MONOAMINE TRANSPORTER 2 SLC18A2, SLC6A2, SLC6A3 TSHR 1860/4885SMN1; SMN2 2076/4885ALDH1A1 968/4885

“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.