SCHEMBL14845957

SCHEMBL14845957

C[C@@H](CN1CCC(n2c(=O)[nH]c3cc(Cl)ccc32)CC1)NC(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 18/20 1.00
PLD1 Q13393 18/20 1.00
YEATS4 O95619 1/20 0.65
MLLT3 P42568 1/20 0.65
MLLT1 Q03111 1/20 0.65
KCNH2 Q12809 1/20 0.65
YEATS2 Q9ULM3 1/20 0.65
DRD2 P14416 2/20 0.64
HTR1A P08908 1/20 0.64
ADRA2A P08913 1/20 0.64
HTR2A P28223 1/20 0.64
SLC6A4 P31645 1/20 0.64
DRD3 P35462 1/20 0.64

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
SCHEMBL14845952 0.95 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL14845962 0.93 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL14846029 0.93 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL14846031 0.92 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL4540618 0.90 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
Hydrochloric Acid SCHEMBL29607342 0.90 PLD2 (0.98) PLD2PLD1YEATS4MLLT3MLLT1
Hydrochloric Acid SCHEMBL30918137 0.90 PLD2 (0.98) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL14845948 0.87 PLD1 (1.00) PLD2PLD1DRD2
SCHEMBL14845951 0.83 PLD1 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL4446707 0.83 PLD1 (0.70) PLD2PLD1YEATS4MLLT3MLLT1

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-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2017-11-09 US disclosed
WO-2014093553-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION VANDERBILT UNIVERSITY (US) 2014-06-19 WO 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 (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-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD PLD2 2/4885PLD1 1/4885YEATS4 1739/4885

“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.