SCHEMBL6042719

SCHEMBL6042719

c1ccc(COCCc2ccc(-c3ccccc3)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
GBA1 P04062 1/20 0.41
UGCG Q16739 1/20 0.41
GBA2 Q9HCG7 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
NAAA Q02083 1/20 0.41
SRC P12931 1/20 0.40
HIF1A Q16665 1/20 0.40
IDO1 P14902 2/20 0.40
AGXT P21549 2/20 0.40
CYP19A1 P11511 1/20 0.39
HSP90AB1 P08238 1/20 0.38
MCHR1 Q99705 1/20 0.37
MAP4K4 O95819 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL6042693 0.81 TSHR (0.42) TSHRGBA1HRH4HRH3NAAA
SCHEMBL27843023 0.80 HIF1A (0.49) SRCHIF1AMCHR1FFAR1
SCHEMBL14047227 0.79 MCHR1 (0.42) HIF1AMCHR1TDP1
SCHEMBL28716976 0.78 TSHR (0.54) TSHRHRH4HRH3NAAAIDO1
SCHEMBL6042028 0.78 TSHR (0.39) TSHRHRH4HRH3NAAATDP1
SCHEMBL19951053 0.77 ABCB1 (0.50) TSHRHRH4HRH3TDP1
SCHEMBL10390465 0.74 ABCB1 (0.48) TSHRHRH4HRH3NAAATDP1
SCHEMBL18876359 0.73 NPC1 (0.44) SRCHIF1ACYP19A1MCHR1
SCHEMBL6042308 0.73 HRH1 (0.52) SRCHIF1ATDP1
SCHEMBL6041956 0.73 NPC1 (0.47) GBA1UGCGGBA2SRCHIF1A

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
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 US disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 TSHR 3417/4885GBA1 158/4885UGCG 1760/4885

“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.