SCHEMBL6043894

SCHEMBL6043894

COc1cc(COC2CN(C(=O)O)CCC2c2ccc(OCCC=Cc3ccccc3)cc2)c(OC)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SSTR5 P35346 2/20 0.37
MAPK1 P28482 1/20 0.36
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ACKR3 P25106 1/20 0.34
MCHR1 Q99705 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.33
S1PR1 P21453 1/20 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
SCHEMBL6043888 1.00 REN (0.49) RENALDH1A1SMN1; SMN2SSTR5MAPK1
SCHEMBL6042526 0.93 REN (0.47) RENALDH1A1SMN1; SMN2SSTR5MAPK1
SCHEMBL8183012 0.93 REN (0.47) RENALDH1A1SMN1; SMN2SSTR5MAPK1
SCHEMBL6041644 0.89 REN (0.58) RENSSTR5
SCHEMBL6043793 0.89 REN (0.56) RENSSTR5
SCHEMBL6042125 0.87 REN (0.58) RENALDH1A1SSTR5PPARAMAPT
SCHEMBL7076705 0.87 REN (0.46) RENALDH1A1SMN1; SMN2SSTR5MAPK1
SCHEMBL6042187 0.86 REN (0.53) RENSSTR5S1PR1
SCHEMBL6042820 0.86 REN (0.59) REN
SCHEMBL6043171 0.86 REN (0.55) RENALDH1A1SSTR5PPARDHRH3

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 1485/4885ALDH1A1 2504/4885SMN1; SMN2 1096/4885

“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.