SCHEMBL18745486

SCHEMBL18745486

O=C(I)C1CC(O)CN1C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HTR2C P28335 1/20 0.47
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
PREP P48147 2/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL115923 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL464289 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL28269 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL71528 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL7016734 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL29878 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL71529 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL7489292 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL31037789 0.89 POLB (0.62) POLBHTR2CPSEN1PSEN2APH1B
SCHEMBL23485199 0.88 POLB (0.61) POLBHTR2CPSEN1PSEN2APH1B

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
US-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS JANSSEN SCIENCES IRELAND UC (IE) 2017-08-10 US disclosed
US-9623022-B2 Macrocyclic inhibitors of hepatitis C virus JANSSEN SCIENCES IRELAND UC (IE) 2017-04-18 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-20170226111-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS CYP2A7, CYP3A7, HCCS POLB 2176/4885HTR2C 824/4885PSEN1 4335/4885

“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.