SCHEMBL13661941

SCHEMBL13661941

CB(O)N1C[C@@H](O)C[C@@H]1COc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.36
▸ CHRNB2 P17787 3/20 0.35
▸ CHRNA4 P43681 3/20 0.35
▸ CHRNB4 P30926 3/20 0.35
▸ CHRNA3 P32297 3/20 0.35
▸ GRM2 Q14416 1/20 0.35
▸ PDK1 Q15118 1/20 0.34
▸ CARM1 Q86X55 1/20 0.34
▸ PRMT6 Q96LA8 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL13661940 0.85 TDP1 (0.36) TDP1HRH3CHRNB2CHRNA4CHRNB4
SCHEMBL13661938 0.81 SCN3A (0.34) TDP1HRH3GRM2MAPK1L3MBTL1
SCHEMBL13661939 0.79 CARM1 (0.32) TDP1HRH3CHRNB2CHRNA4CHRNB4
SCHEMBL13661937 0.77 HRH3 (0.35) TDP1HRH3CHRNB2CHRNA4CHRNB4
SCHEMBL13661930 0.76 — —
SCHEMBL3945694 0.74 NR1D1 (0.41) TDP1GRM2
SCHEMBL6974057 0.74 NR1D1 (0.41) TDP1GRM2
SCHEMBL8059551 0.70 CYP1A2 (0.45) —
SCHEMBL12213308 0.70 GAA (0.31) —
SCHEMBL13987857 0.70 RIPK1 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3MAPK1

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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE GLAXO GROUP LIMITED (GB) 2009-10-22 — — 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-20090264431-A1 NOVEL CATHEPSIN C INHIBITORS AND THEIR USE CTSB, CTSS, CTSF TDP1 3880/4885HRH3 588/4885CHRNB2 1534/4885

“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.

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