SCHEMBL6041827

SCHEMBL6041827

O=C(O)N1CCC(c2ccc(F)cc2)C(OCc2cccc(OCc3ccccc3)c2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.45
NR4A2 P43354 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41
MAOB P27338 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL6041641 0.90 REN (0.46)
SCHEMBL6041884 0.86 MRGPRX4 (0.39) KMT2AMEN1MRGPRX4ALDH1A1POLB
SCHEMBL6043496 0.86 REN (0.50)
SCHEMBL6041246 0.86 KDM2B (0.45) MRGPRX4ALDH1A1POLB
SCHEMBL6043206 0.86 MAPT (0.43) F10MRGPRX4ALDH1A1POLB
SCHEMBL6043273 0.84 REN (0.42) MRGPRX4ALDH1A1POLB
SCHEMBL6042239 0.83 MGLL (0.46) FAAH
SCHEMBL6044005 0.83 KDM2B (0.40) KMT2AMEN1MRGPRX4ALDH1A1MAOB
SCHEMBL6041769 0.82 REN (0.42) GRIN1GRIN2B
SCHEMBL6959336 0.82 KMT2A (0.39) F10NR4A2KMT2AMEN1MRGPRX4

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 F10 1325/4885NR4A2 1122/4885KMT2A 2702/4885

“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.