SCHEMBL14833142

SCHEMBL14833142

CC1CC(C)(C)CC(C)(N2CCCCC2)C1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL659625 0.98 CYP3A4 (0.35) CYP3A4CYP2D6TSHRESR1ESR2
SCHEMBL14829981 0.77 SIGMAR1 (0.32)
SCHEMBL14833298 0.77 SIGMAR1 (0.32)
SCHEMBL14833320 0.77 SIGMAR1 (0.32)
SCHEMBL14833275 0.76
SCHEMBL16321799 0.76
SCHEMBL14833274 0.76
SCHEMBL14833352 0.76
SCHEMBL16321798 0.76
SCHEMBL659964 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 US claimed
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2017-11-09 US disclosed
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 US disclosed
EP-2931277-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS Vanderbilt University (US) 2015-10-21 EP disclosed
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2015-01-22 US disclosed
US-20140378524-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY 2014-12-25 US disclosed
EP-2760447-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS Vanderbilt University (US) 2014-08-06 EP disclosed
WO-2014093557-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2014-06-19 WO disclosed
WO-2013049773-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2013-04-04 WO 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 (3 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-20140378524-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD CYP3A4 4058/4885CYP2D6 3928/4885TSHR 3721/4885
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD CYP3A4 4058/4885CYP2D6 3928/4885TSHR 3721/4885
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS PLD1, PLA2G2D, PLD2 CYP3A4 2317/4885CYP2D6 1520/4885TSHR 3636/4885

“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.