SCHEMBL6042563

SCHEMBL6042563

CCCC1CN(C(=O)O)CC(OC(=O)OCC(Cl)(Cl)Cl)C1c1ccc(Cl)cc1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
SLC6A3 Q01959 1/20 0.35
MDM2 Q00987 3/20 0.35
PDE5A O76074 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6041390 0.83 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3MDM2
SCHEMBL6042198 0.83 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3MDM2
SCHEMBL7553812 0.81 CHRM2 (0.36) CHRM2CHRM4CHRM1CHRM3SLC6A3
SCHEMBL6042380 0.79 CHRM2 (0.35) CHRM2CHRM4CHRM1CHRM3ALDH1A1
SCHEMBL6042173 0.76 MDM2 (0.45) SLC6A3MDM2
SCHEMBL7560345 0.76 CHRM2 (0.39) CHRM2CHRM4CHRM1CHRM3MDM2
SCHEMBL7568319 0.75 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3MDM2
SCHEMBL6042059 0.74 REN (0.45) GPBAR1ALDH1A1
SCHEMBL6041267 0.72 REN (0.46) GPBAR1
SCHEMBL6041997 0.69 TP53 (0.42) ALDH1A1LMNAGAASMN1; SMN2

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 CHRM2 39/4885CHRM4 129/4885CHRM1 67/4885

“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.