SCHEMBL6041536

SCHEMBL6041536

COc1c(COC2CN(C(=O)O)CCC2c2ccc(CCOC(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)ccc2ccccc12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 3/20 0.34
SLC6A11 P48066 1/20 0.34
HPGD P15428 1/20 0.33
REN P00797 6/20 0.32
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
RORC P51449 1/20 0.31

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
SCHEMBL6044016 0.93 HPGD (0.34) SLC6A1SLC6A11HPGDRENPRMT5
SCHEMBL6041322 0.88 REN (0.40) HPGDREN
SCHEMBL6041481 0.88 HPGD (0.36) HPGDRENPRMT5WDR77
SCHEMBL7081778 0.87 SLC6A1 (0.32) SLC6A1SLC6A11RENCHRM3
SCHEMBL6042744 0.86 HPGD (0.37) HPGDRENPRMT5WDR77
SCHEMBL6041453 0.84 REN (0.46) REN
SCHEMBL6042210 0.84 HPGD (0.38) HPGDRENPRMT5WDR77
SCHEMBL6042320 0.82 REN (0.32) REN
SCHEMBL6041261 0.81 REN (0.41) HPGDREN
SCHEMBL6042311 0.81 REN (0.36) RENCHRM2CHRM4CHRM5CHRM1

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 SLC6A1 4211/4885SLC6A11 4391/4885HPGD 1509/4885

“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.