SCHEMBL13057486

SCHEMBL13057486

CCC(C)N1c2ccccc2CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.46
SLC22A1 O15245 3/20 0.46
CHRM2 P08172 3/20 0.46
CHRM1 P11229 3/20 0.46
SLC6A4 P31645 3/20 0.46
ADRA1A P35348 3/20 0.46
DRD3 P35462 3/20 0.46
CACNA1B Q00975 3/20 0.46
SLC6A3 Q01959 3/20 0.46
KCNH2 Q12809 3/20 0.46
CYP2D6 P10635 3/20 0.46
LMNA P02545 3/20 0.46
CYP3A4 P08684 3/20 0.46
HTR1A P08908 2/20 0.46
DRD1 P21728 2/20 0.46
OPRM1 P35372 2/20 0.46
NFKB1 P19838 2/20 0.46
THPO P40225 2/20 0.46
ADRA2A P08913 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL12386899 0.89 MEN1 (0.37) SLC6A2SLC22A1CHRM2CHRM1SLC6A4
SCHEMBL14567692 0.88 POLB (0.46) SLC6A2SLC22A1CHRM2CHRM1SLC6A4
SCHEMBL1102396 0.79 L3MBTL1 (0.49) SLC6A2SLC22A1CHRM2CHRM1SLC6A4
Hydrochloric Acid SCHEMBL4225623 0.79 SLC6A4 (0.60) SLC6A2SLC22A1CHRM2CHRM1SLC6A4
SCHEMBL24263861 0.79 HSD17B3 (0.46) SLC6A2SLC22A1CHRM2CHRM1SLC6A4
SCHEMBL21142478 0.79 NOTUM (0.46) DRD3HTR1AOPRM1KMT2ADRD2
SCHEMBL24729037 0.78 ALDH1A1 (0.47) SLC6A2SLC6A4DRD3LMNADRD1
SCHEMBL8216960 0.78 ALDH1A1 (0.47) SLC6A2SLC6A4DRD3LMNADRD1
SCHEMBL20118737 0.77 ALDH1A1 (0.41) KCNH2CYP2D6CYP3A4NFKB1TSHR
SCHEMBL13057484 0.77 SLC6A4 (0.46) SLC6A2SLC22A1CHRM2CHRM1SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311727-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS ALGEBRA, INC. (US) 2010-12-09 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-20100311727-A1 THERAPEUTIC AMINE-ARYLSULFONAMIDE CONJUGATE COMPOUNDS AADAT, AADAC, AANAT SLC6A2 49/4885SLC22A1 1519/4885CHRM2 422/4885

“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.