SCHEMBL6042568

SCHEMBL6042568

C[Si](C)(C)CCOCOc1cc(COC2CN(C(=O)O)CCC2c2ccc(CCSc3nc4ccccc4s3)cc2)cc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
CCR1 P32246 2/20 0.35
CCR3 P51677 2/20 0.35
TSHR P16473 1/20 0.33
REN P00797 3/20 0.33
MAPT P10636 4/20 0.32
HSD17B10 Q99714 1/20 0.32
ELANE P08246 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
SCHEMBL7078161 0.89 CTSD (0.35) CTSDCTSEALDH1A1SMN1; SMN2NPC1
SCHEMBL6042523 0.88 REN (0.35) REN
SCHEMBL6041910 0.88 REN (0.35) REN
SCHEMBL6041606 0.86 REN (0.37) REN
SCHEMBL7546296 0.85 REN (0.47) CTSDCTSEREN
SCHEMBL6043363 0.84 REN (0.37) REN
SCHEMBL6042567 0.83 REN (0.38) ALDH1A1SMN1; SMN2RAB9ARENMAPT
SCHEMBL6041608 0.83 REN (0.41) REN
SCHEMBL6041782 0.83 CTSD (0.47) CTSDCTSEALDH1A1SMN1; SMN2NPC1
SCHEMBL6041300 0.83 REN (0.35) 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 CTSD 92/4885CTSE 64/4885ALDH1A1 2504/4885

“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.