SCHEMBL6041281

SCHEMBL6041281

CC([SiH3])C(C)(C)OC(=O)N1CCC(c2ccc(F)cc2)C(OCc2cc(OCCOC(=O)Nc3ccccn3)c3ccccc3c2)C1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.33
EDNRB P24530 6/20 0.32
EDNRA P25101 6/20 0.32
BACE1 P56817 2/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
REN P00797 3/20 0.32
F10 P00742 1/20 0.31
BCHE P06276 1/20 0.31
NOS2 P35228 1/20 0.30
FPR1 P21462 2/20 0.30
TP53 P04637 1/20 0.30
HTT P42858 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL6041402 0.88 BCHE (0.37) RENF10BCHEFPR1FPR2
SCHEMBL6041276 0.87 NOS2 (0.34) EDNRBEDNRARENF10BCHE
SCHEMBL27535951 0.87 TACR1 (0.36) TACR1BACE1BACE2RENF10
SCHEMBL6041599 0.86 REN (0.39) TACR1BACE1BACE2RENBCHE
SCHEMBL27514027 0.85 TACR1 (0.37) TACR1BACE1BACE2REN
SCHEMBL27512630 0.83 TACR1 (0.35) TACR1BACE1BACE2REN
SCHEMBL27504637 0.81 TACR1 (0.39) TACR1BACE1BACE2RENTP53
SCHEMBL7079783 0.79 REN (0.49) REN
SCHEMBL27512631 0.79 DNMT3A (0.37) TACR1BACE1BACE2REN
SCHEMBL28740374 0.77 BACE1 (0.36) TACR1BACE1BACE2RENF10

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 TACR1 508/4885EDNRB 270/4885EDNRA 430/4885

“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.