SCHEMBL14845952

SCHEMBL14845952

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLD2 O14939 19/20 1.00
PLD1 Q13393 19/20 1.00
DRD2 P14416 1/20 0.72
YEATS4 O95619 1/20 0.59
MLLT3 P42568 1/20 0.59
MLLT1 Q03111 1/20 0.59
KCNH2 Q12809 1/20 0.59
YEATS2 Q9ULM3 1/20 0.59

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
SCHEMBL14845962 0.95 PLD2 (1.00) PLD2PLD1DRD2YEATS4MLLT3
SCHEMBL14845957 0.95 PLD2 (1.00) PLD2PLD1DRD2YEATS4MLLT3
SCHEMBL14845948 0.93 PLD1 (1.00) PLD2PLD1DRD2
SCHEMBL14846031 0.92 PLD2 (1.00) PLD2PLD1DRD2YEATS4MLLT3
SCHEMBL14846029 0.88 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
SCHEMBL4540618 0.87 PLD2 (1.00) PLD2PLD1YEATS4MLLT3MLLT1
Hydrochloric Acid SCHEMBL30918137 0.86 PLD2 (0.98) PLD2PLD1YEATS4MLLT3MLLT1
Hydrochloric Acid SCHEMBL29607342 0.86 PLD2 (0.98) PLD2PLD1YEATS4MLLT3MLLT1
Halopemide SCHEMBL121267 0.84 PLD2 (1.00) PLD2PLD1DRD2
SCHEMBL14846028 0.83 PLD2 (1.00) PLD2PLD1

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-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS UNIV VANDERBILT (US) 2017-11-09 US disclosed
US-20160296506-A1 Methods and Compositions for Treating HIV Infection VANDERBILT UNIVERSITY 2016-10-13 US disclosed
US-9453017-B2 Antiviral therapies with phospholipase D inhibitors VANDERBILT UNIVERSITY (US) 2016-09-27 US 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
WO-2014093557-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS VANDERBILT UNIVERSITY (US) 2014-06-19 WO disclosed
WO-2014093553-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION VANDERBILT UNIVERSITY (US) 2014-06-19 WO disclosed
US-20140163055-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION VANDERBILT UNIVERSITY 2014-06-12 US 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 (5 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 PLD2 2/4885PLD1 1/4885DRD2 909/4885
US-20160296506-A1 Methods and Compositions for Treating HIV Infection SMPD3, PLD3, SMPD1 PLD2 5/4885PLD1 4/4885DRD2 1062/4885
US-20140163055-A1 METHODS AND COMPOSITIONS OF TREATING HIV INFECTION PLD3, SMPD3, SMPD1 PLD2 5/4885PLD1 4/4885DRD2 1040/4885
US-20170319611-A1 METHODS AND COMPOSITIONS COMPRISING AKT INHIBITORS AND/OR PHOSPHOLIPASE D INHIBITORS PLD1, PLD2, PIK3CD PLD2 2/4885PLD1 1/4885DRD2 909/4885
US-20150025041-A1 ANTIVIRAL THERAPIES WITH PHOSPHOLIPASE D INHIBITORS PLD1, PLA2G2D, PLD2 PLD2 3/4885PLD1 1/4885DRD2 310/4885

“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.