SCHEMBL13485697

SCHEMBL13485697

CCC(N(C)C)N1c2ccccc2Sc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.53
CHRM2 P08172 4/20 0.53
HTR1A P08908 4/20 0.53
ADRA2A P08913 4/20 0.53
CHRM1 P11229 4/20 0.53
DRD1 P21728 4/20 0.53
SLC6A2 P23975 4/20 0.53
SLC6A4 P31645 4/20 0.53
ADRA1A P35348 4/20 0.53
OPRM1 P35372 4/20 0.53
DRD3 P35462 4/20 0.53
KCNH2 Q12809 4/20 0.53
ALDH1A1 P00352 4/20 0.53
LMNA P02545 3/20 0.53
ALOX15 P16050 3/20 0.53
HSD17B10 Q99714 3/20 0.53
CYP1A2 P05177 3/20 0.53
SLC22A1 O15245 3/20 0.53
PTGS1 P23219 3/20 0.53
PRNP P04156 2/20 0.53

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
SCHEMBL6754729 0.87 ITGB2 (0.54) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL31336877 0.87 ITGB2 (0.54) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL12386881 0.77 PTGS1 (0.51) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL13057484 0.76 SLC6A4 (0.46) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL4595129 0.75 MAOA (0.48) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL141530 0.72 CHRM2 (0.62) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL29754774 0.72 CHRM2 (0.62) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL15668543 0.72 NOX1 (0.52) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL9331898 0.72 BCHE (0.43) CYP2D6CHRM2HTR1AADRA2ACHRM1
SCHEMBL627482 0.71 MAOA (0.58) CYP2D6CHRM2HTR1AADRA2ACHRM1

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-20100035859-A1 TREATMENT OF PROTEIN AGGREGATION DISEASES PAD PHARMA LIMITED (GB) 2010-02-11 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-20100035859-A1 TREATMENT OF PROTEIN AGGREGATION DISEASES PRNP, TTR, HTT CYP2D6 4857/4885CHRM2 2465/4885HTR1A 2854/4885

“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.