SCHEMBL14930632

SCHEMBL14930632

COC(=O)N[C@@H](C1CCOCC1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL18782863 1.00 AAK1 (0.35) AAK1ALDH1A1CNR1CNR2
SCHEMBL15113564 0.88 CTSS (0.31)
SCHEMBL16293241 0.88 CTSS (0.31)
SCHEMBL22361405 0.88 CTSS (0.31)
SCHEMBL18782751 0.84 AAK1 (0.35) AAK1CNR2
SCHEMBL19364848 0.84 AAK1 (0.33) AAK1CNR2
SCHEMBL18923119 0.78 AAK1 (0.33) AAK1ALDH1A1
SCHEMBL14930619 0.78 AAK1 (0.33) AAK1ALDH1A1
SCHEMBL8907579 0.78 AAK1 (0.43) AAK1ALDH1A1CNR1CNR2
SCHEMBL18923061 0.78 AAK1 (0.43) AAK1ALDH1A1CNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9669027-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2017-06-06 US disclosed
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2016-02-11 US disclosed
US-9212168-B2 Hepatitis C virus inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-15 US disclosed
US-20130115194-A1 HEPATITIS C VIRUS INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC 2013-05-09 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 (2 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-20130115194-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF AAK1 3260/4885ALDH1A1 704/4885CNR1 2562/4885
US-20160038483-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, HDGF AAK1 3260/4885ALDH1A1 704/4885CNR1 2562/4885

“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.