SCHEMBL6044016

SCHEMBL6044016

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
REN P00797 3/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
RORC P51449 1/20 0.32
PDE4B Q07343 1/20 0.32
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
CXCR2 P25025 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CASR P41180 1/20 0.31
HTT P42858 1/20 0.31
TACR1 P25103 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
SCHEMBL6041536 0.93 SLC6A1 (0.34) HPGDRENPRMT5WDR77RORC
SCHEMBL6042744 0.88 HPGD (0.37) HPGDRENPRMT5WDR77PDE4B
SCHEMBL6041481 0.87 HPGD (0.36) HPGDRENPRMT5WDR77PDE4B
SCHEMBL7079227 0.86 REN (0.33) HPGDRENPRMT5WDR77PDE4B
SCHEMBL6042320 0.86 REN (0.32) REN
SCHEMBL6042210 0.86 HPGD (0.38) HPGDRENPRMT5WDR77ALDH1A1
SCHEMBL6041322 0.84 REN (0.40) HPGDRENRAB9A
SCHEMBL6043103 0.83 REN (0.49) REN
SCHEMBL6042544 0.83 REN (0.45) HPGDRENPDE4BALDH1A1RAB9A
SCHEMBL6041261 0.82 REN (0.41) HPGDRENALDH1A1RAB9A

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 3 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
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 HPGD 1509/4885REN 1485/4885PRMT5 160/4885

“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.