SCHEMBL6044232

SCHEMBL6044232

CCCC1CN(C(=O)O)CC(OCc2cc(OCc3ccccc3)c3ccccc3c2)C1c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.37
PPARG P37231 3/20 0.36
REN P00797 3/20 0.36
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
APP P05067 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SSTR5 P35346 1/20 0.34
CSF1R P07333 1/20 0.33
TACR1 P25103 1/20 0.33
S1PR5 Q9H228 1/20 0.33

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
SCHEMBL6041288 0.87 S1PR5 (0.35) PTGER1PPARGRENNPC1RAB9A
SCHEMBL6041400 0.83 REN (0.44) REN
SCHEMBL6044005 0.82 KDM2B (0.40) PTGER1RENLMNAMAPTL3MBTL1
SCHEMBL6042154 0.78 REN (0.39) PTGER1PPARGRENMAPTRAB9A
SCHEMBL6042212 0.77 MGLL (0.39) PTGER1RENLMNAMAPTNPC1
SCHEMBL6041267 0.76 REN (0.46) REN
SCHEMBL6041290 0.76 REN (0.39) RENLMNAMAPTNPC1POLB
SCHEMBL6042372 0.76 REN (0.42) REN
SCHEMBL6043273 0.76 REN (0.42) RENLMNAMAPTNPC1POLB
SCHEMBL6042864 0.76 REN (0.45) PTGER1RENAPPNPC1RAB9A

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-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US 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 PTGER1 1858/4885PPARG 2073/4885REN 1485/4885

“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.