SCHEMBL6043950

SCHEMBL6043950

O=C(O)N1CCC(O)C(n2ccc(OCc3ccccc3)cc2=O)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
MCHR1 Q99705 16/20 0.46
KCNH2 Q12809 3/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL6041786 0.92 MCHR1 (0.41) MAPK14MCHR1KCNH2CYP3A4
SCHEMBL6042068 0.92 MAPK14 (0.48) MAPK14MCHR1KCNH2CYP3A4
SCHEMBL6954975 0.86 MCHR1 (0.44) MAPK14MCHR1KCNH2CYP3A4
SCHEMBL6043024 0.84 MCHR1 (0.41) MAPK14MCHR1KCNH2CYP3A4
SCHEMBL16670343 0.84 MAPK14 (0.50) MAPK14MCHR1KCNH2
SCHEMBL6044002 0.80 SLC18A3 (0.38)
SCHEMBL6956046 0.80 MCHR1 (0.44) MAPK14MCHR1KCNH2CYP3A4
SCHEMBL6957257 0.79 MCHR1 (0.40) MAPK14MCHR1KCNH2CYP3A4
SCHEMBL6041385 0.76 REN (0.47) MCHR1KCNH2
SCHEMBL6470884 0.75 MAPK14 (0.54) MAPK14MCHR1KCNH2

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 MAPK14 4856/4885MCHR1 3054/4885KCNH2 2420/4885

“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.