SCHEMBL6042564

SCHEMBL6042564

C=CCOc1ccc2cc(COC3CN(C(=O)O)CCC3c3ccc(F)cc3)ccc2c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.39
HTR2A P28223 1/20 0.38
SLC16A3 O15427 1/20 0.37
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
S1PR5 Q9H228 1/20 0.35
F10 P00742 1/20 0.35

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
SCHEMBL6042110 0.90 REN (0.49) REN
SCHEMBL6041641 0.87 REN (0.46) RENSLC16A3
SCHEMBL6042266 0.87 REN (0.44) RENKDM1AMAOBALDH1A1SMN1; SMN2
SCHEMBL6043496 0.85 REN (0.50) REN
SCHEMBL6041769 0.85 REN (0.42) REN
SCHEMBL6041684 0.85 REN (0.44) RENKDM1AALDH1A1SMN1; SMN2
SCHEMBL28742376 0.85 BACE1 (0.35) RENHTR2AKDM1AMAOBRAB9A
SCHEMBL6041939 0.84 REN (0.44) REN
SCHEMBL6042357 0.83 REN (0.34) RENHTR2ARAB9ANPC1ALDH1A1
SCHEMBL6041771 0.83 REN (0.41) 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 REN 1485/4885HTR2A 1428/4885SLC16A3 4586/4885

“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.