SCHEMBL6041402

SCHEMBL6041402

O=C(Nc1ccccn1)OCCOc1cc(COC2CN(C(=O)O)CCC2c2ccc(F)cc2)cc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
REN P00797 3/20 0.35
MET P08581 1/20 0.35
GRIN2B Q13224 2/20 0.34
SGMS2 Q8NHU3 1/20 0.34
F10 P00742 1/20 0.34
FPR1 P21462 2/20 0.33
LRRK2 Q5S007 2/20 0.33
FPR2 P25090 1/20 0.33
PSMB5 P28074 1/20 0.32
HRH2 P25021 1/20 0.32

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
SCHEMBL6041276 0.90 NOS2 (0.34) BCHERENMETGRIN2BF10
SCHEMBL6041281 0.88 TACR1 (0.33) BCHERENF10FPR1FPR2
SCHEMBL6042909 0.86 REN (0.39) BCHERENF10
SCHEMBL6041290 0.86 REN (0.39) REN
SCHEMBL6041678 0.86 REN (0.49) BCHEREN
SCHEMBL7079783 0.85 REN (0.49) REN
SCHEMBL6041832 0.85 REN (0.39) RENMETF10FPR1FPR2
SCHEMBL6042134 0.85 REN (0.39) RENLRRK2HRH2
SCHEMBL6042261 0.85 CCR3 (0.37) REN
SCHEMBL6044005 0.84 KDM2B (0.40) REN

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 BCHE 8/4885REN 1485/4885MET 3374/4885

“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.