SCHEMBL6041322

SCHEMBL6041322

COc1c(COC2CN(C(=O)O)CCC2c2ccc(CCOc3ccccc3)cc2)ccc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.40
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6041481 0.90 HPGD (0.36) RENHPGDRAB9A
SCHEMBL6041261 0.90 REN (0.41) RENHPGDNPC1RAB9A
SCHEMBL6042744 0.88 HPGD (0.37) RENHPGDRAB9A
SCHEMBL6041536 0.88 SLC6A1 (0.34) RENHPGD
SCHEMBL6042210 0.88 HPGD (0.38) RENHPGDNPC1RAB9A
SCHEMBL6042311 0.86 REN (0.36) RENKDM1AMAOAMAOBRAB9A
SCHEMBL7082266 0.86 REN (0.38) RENKDM1AMAOAMAOB
SCHEMBL6043107 0.85 REN (0.36) RENHPGDRAB9A
SCHEMBL6043099 0.85 REN (0.36) RENHPGDRAB9A
SCHEMBL6044016 0.84 HPGD (0.34) RENHPGDRAB9A

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 REN 1485/4885KDM1A 1891/4885MAOA 192/4885

“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.