SCHEMBL6042842

SCHEMBL6042842

O=C(OC1CN(C(=O)O)CCC1c1ccc(OCCOc2ccccc2)cc1)c1ccc2ccccc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.45
BCHE P06276 1/20 0.41
NPC1 O15118 2/20 0.40
KDM2B Q8NHM5 2/20 0.40
RAB9A P51151 2/20 0.39
DRD4 P21917 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6042280 0.87 RAB9A (0.42) BCHENPC1KDM2BRAB9ADRD4
SCHEMBL6042529 0.83 REN (0.59) REN
SCHEMBL7079460 0.82 REN (0.43) RENBCHENPC1KDM2BRAB9A
SCHEMBL6043834 0.80 REN (0.65) REN
SCHEMBL6042495 0.80 REN (0.60) REN
SCHEMBL6041551 0.80 REN (0.63) REN
SCHEMBL6042286 0.79 REN (0.71) REN
SCHEMBL7080908 0.79 REN (0.41) RENBCHEKDM2BHRH3
SCHEMBL6042650 0.78 ALOX5 (0.47) REN
SCHEMBL6043256 0.78 REN (0.64) RENBCHE

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 1485/4885BCHE 8/4885NPC1 418/4885

“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.