SCHEMBL6042500

SCHEMBL6042500

CCOC(=O)CCc1ccc(C2CCN(C(=O)O)CC2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
HRH3 Q9Y5N1 2/20 0.47
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP4Z1 Q86W10 1/20 0.40
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL7076465 0.85 HRH3 (0.45) CYP4F2CYP4A11HRH3ALDH1A1L3MBTL1
SCHEMBL6042245 0.81 MEN1 (0.39) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL6042502 0.79 L3MBTL1 (0.49) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL6042498 0.79 L3MBTL1 (0.49) ALDH1A1L3MBTL1MEN1KMT2APOLB
SCHEMBL7080534 0.79 HRH3 (0.42) CYP4F2CYP4A11HRH3ALDH1A1L3MBTL1
SCHEMBL6042207 0.78 REN (0.47) ALDH1A1
SCHEMBL6041588 0.78 MEN1 (0.41) ALDH1A1MEN1KMT2APOLBNPC1
SCHEMBL6042361 0.78 NPC1 (0.48) ALDH1A1MEN1KMT2ANPC1
Bicarbonate SCHEMBL7546674 0.76 MAPT (0.49) CYP4F2CYP4A11HRH3ALDH1A1CYP4Z1
SCHEMBL3079572 0.74 MEN1 (0.60) ALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 CYP4F2 3852/4885CYP4A11 2466/4885HRH3 404/4885

“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.