SCHEMBL6043099

SCHEMBL6043099

COc1c(COC2CN(C(=O)O)CCC2c2ccc(OCC3CO3)cc2)ccc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
REN P00797 5/20 0.36
TDP1 Q9NUW8 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
MMP13 P45452 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
DRD4 P21917 2/20 0.33

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
SCHEMBL6043107 1.00 REN (0.36) RENTDP1HPGDMEN1KMT2A
SCHEMBL6041261 0.87 REN (0.41) RENHPGDALDH1A1RAB9A
SCHEMBL6042210 0.85 HPGD (0.38) RENHPGDMEN1KMT2AALDH1A1
SCHEMBL6041322 0.85 REN (0.40) RENHPGDRAB9A
SCHEMBL6042744 0.84 HPGD (0.37) RENHPGDMEN1KMT2AALDH1A1
SCHEMBL6042754 0.84 MEN1 (0.42) RENHPGDMEN1KMT2ARAB9A
SCHEMBL6042749 0.84 MEN1 (0.42) RENHPGDMEN1KMT2ARAB9A
SCHEMBL6041481 0.83 HPGD (0.36) RENHPGDMEN1KMT2AALDH1A1
SCHEMBL6044046 0.83 REN (0.49) RENDRD4
SCHEMBL6044054 0.83 REN (0.49) RENDRD4

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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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 REN 1485/4885TDP1 1041/4885HPGD 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.