SCHEMBL6042403

SCHEMBL6042403

COc1ccc(COc2cc(COC3C(c4ccc(F)cc4)CCN(C(=O)O)C3CC[Si](C)(C)C)cc3ccccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.37
FPR1 P21462 3/20 0.36
FPR2 P25090 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APP P05067 1/20 0.35
PPARG P37231 1/20 0.34
REN P00797 2/20 0.34
F2RL3 Q96RI0 2/20 0.34
CNR2 P34972 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6041450 0.93 TACR1 (0.36) RENF2RL3PKM
SCHEMBL6042169 0.92 REN (0.38) PTGER1APPRENF2RL3NPC1
SCHEMBL7562261 0.86 HCRTR1 (0.33) PTGER1
SCHEMBL6043273 0.72 REN (0.42) RENNPC1PKMRAB9A
SCHEMBL6955713 0.72 REN (0.58) REN
SCHEMBL6044005 0.72 KDM2B (0.40) PTGER1RENNPC1RAB9A
SCHEMBL6042567 0.71 REN (0.38) PTGER1RENRAB9A
SCHEMBL6042720 0.71 SLC6A4 (0.42) PTGER1
SCHEMBL6042864 0.71 REN (0.45) PTGER1APPRENNPC1RAB9A
SCHEMBL6042212 0.70 MGLL (0.39) PTGER1RENNPC1RAB9A

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 1858/4885FPR1 909/4885FPR2 1284/4885

“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.