SCHEMBL5705693

SCHEMBL5705693

O=C(O)CC(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.50
LTA4H P09960 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.47
SLC6A9 P48067 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
EPHX2 P34913 1/20 0.43
CTSA P10619 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNB1 Q02641 1/20 0.41
CACNA1C Q13936 1/20 0.41

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
SCHEMBL68253 0.89 FFAR1 (0.58) FFAR1MEN1KMT2AHPGDLMNA
SCHEMBL170301 0.83 SLC6A2 (0.55) FFAR1MEN1KMT2AEPHX2HPGD
Ethylene Glycol SCHEMBL7215786 0.83 MMP12 (0.42) FFAR1EPHX2CTSAHPGDLMNA
SCHEMBL16853745 0.83 CACNA2D1 (0.55) FFAR1MEN1KMT2AHPGDLMNA
SCHEMBL6703313 0.83 CACNA2D1 (0.55) FFAR1MEN1KMT2AHPGDLMNA
Hydrochloric Acid SCHEMBL128794 0.81 SLC6A2 (0.53) FFAR1MEN1KMT2AEPHX2HPGD
SCHEMBL3553105 0.81 FFAR1 (0.56) FFAR1PTGDR2MEN1KMT2AEPHX2
SCHEMBL15577716 0.81 PTGDR2 (0.44) FFAR1LTA4HPTGDR2EPHX2CTSA
SCHEMBL15577714 0.81 PTGDR2 (0.44) FFAR1LTA4HPTGDR2EPHX2CTSA
SCHEMBL10974823 0.80 FFAR1 (0.55) FFAR1SLC6A9MEN1KMT2ACTSA

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
EP-1517894-B1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LTD (GB) 2006-09-06 EP disclosed
US-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors GLAXO GROUP LIMITED (GB) 2006-03-16 US disclosed
EP-1517894-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-03-30 EP disclosed
WO-2004005255-A1 N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-01-15 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-20060058348-A1 N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors HTR7, OPRL1, HCRTR1 FFAR1 753/4885LTA4H 1717/4885PTGDR2 749/4885

“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.