SCHEMBL6041870

SCHEMBL6041870

C[Si](C)(C)CCOC(=O)OC1CN(C(=O)O)CCC1c1cccc(Br)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.36
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL6042159 0.72 HRH3 (0.46) HRH3SLC6A4SLC6A3ALDH1A1DRD2
SCHEMBL4341452 0.70 REN (0.48)
SCHEMBL4341454 0.70 REN (0.48)
SCHEMBL6042700 0.70 CHRM2 (0.39) HRH3ALDH1A1POLBMEN1KMT2A
SCHEMBL18585948 0.66 HDAC4 (0.50) HRH3ALDH1A1DRD2DRD1DRD4
SCHEMBL4864580 0.65 SCN1A (0.39) PPARGPPARALMNA
SCHEMBL10182023 0.63 TACR1 (0.52) HRH3
SCHEMBL325784 0.63 HRH3 (0.45) HRH3SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL2807246 0.62 JAK2 (0.48) HRH3
SCHEMBL2807244 0.62 JAK2 (0.48) HRH3

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 HRH3 404/4885SLC6A4 3264/4885SLC6A3 2921/4885

“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.