SCHEMBL15219832

SCHEMBL15219832

CC(=O)[C@H]1CC12CCOCC2

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.37
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL30975905 0.85
SCHEMBL24823486 0.85
SCHEMBL16409165 0.81
SCHEMBL3464980 0.79 HRH3 (0.38) HRH3ALDH1A1LMNA
SCHEMBL3464994 0.79 HRH3 (0.38) HRH3ALDH1A1LMNA
SCHEMBL3463634 0.79 HRH3 (0.38) HRH3ALDH1A1LMNA
SCHEMBL16407821 0.78 LMNA (0.36) ALDH1A1L3MBTL1LMNA
SCHEMBL3464471 0.77 HRH3 (0.37) HRH3ALDH1A1NPSR1L3MBTL1LMNA
SCHEMBL3464255 0.77 HRH3 (0.37) HRH3LMNA
SCHEMBL29567279 0.77 HRH3 (0.37) HRH3LMNA

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
EP-2631238-A1 Spirocyclic inhibitors of serine proteases for the treatment of hcv infections VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-28 EP disclosed
US-20110182856-A1 INHIBITORS OF SERINE PROTEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-07-28 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-20110182856-A1 INHIBITORS OF SERINE PROTEASES PRSS1, SPINT2, PRSS2 HRH3 3487/4885SMN1; SMN2 2156/4885ALDH1A1 1255/4885

“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.