SCHEMBL13282922

SCHEMBL13282922

COc1ccc2c(c1)CN(CCCS)CC2

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
ABCB1 P08183 7/20 0.54
HRH3 Q9Y5N1 1/20 0.52
DRD1 P21728 1/20 0.51
DRD5 P21918 1/20 0.51

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
SCHEMBL6975839 0.85 ABCB1 (0.55) TDP1ABCB1HRH3
SCHEMBL13255332 0.82 DRD2 (0.52) TDP1ABCB1
SCHEMBL10278367 0.81 ABCB1 (0.74) ABCB1
SCHEMBL6369606 0.81 HRH3 (0.61) ABCB1HRH3DRD1DRD5
SCHEMBL3245096 0.81 SLC6A4 (0.51) TDP1ABCB1
SCHEMBL3173969 0.81 ABCB1 (0.68) TDP1ABCB1HRH3DRD1DRD5
SCHEMBL22099626 0.81 SLC6A2 (0.55) TDP1ABCB1DRD1DRD5
SCHEMBL4384644 0.81 TDP1 (0.59) TDP1ABCB1HRH3DRD1DRD5
SCHEMBL10675568 0.80 ABCB1 (0.67) TDP1ABCB1HRH3DRD1DRD5
SCHEMBL3246821 0.78 DRD1 (0.58) TDP1ABCB1HRH3DRD1DRD5

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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-07-29 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-20100190753-A1 Methods and Compositions for Treating Amyloid-Related Diseases APP, PSEN1, PSEN2 TDP1 686/4885ABCB1 523/4885HRH3 1636/4885

“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.