SCHEMBL6044592

SCHEMBL6044592

COc1ccccc1-c1noc(COc2ccc(C3CCN(C(=O)O)CC3OCc3ccc(S(C)(=O)=O)cc3)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.43
ADORA2B P29275 1/20 0.40
FFAR1 O14842 4/20 0.39
TSHR P16473 1/20 0.36
MAPT P10636 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
EPHX1 P07099 1/20 0.36
EPHX2 P34913 1/20 0.36
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN9A Q15858 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
SCHEMBL6042201 0.92 GPR119 (0.46) RENGPR119
SCHEMBL6042911 0.90 REN (0.43) RENADORA2BFFAR1TSHRMAPT
SCHEMBL6952312 0.87 GPR119 (0.39) RENADORA2BGPR119
SCHEMBL6041245 0.84 REN (0.60) REN
SCHEMBL6042133 0.84 REN (0.45) RENADORA2BFFAR1TSHRMAPT
SCHEMBL6041408 0.80 REN (0.56) RENADORA2BFFAR1CASP3SENP8
SCHEMBL6042397 0.79 REN (0.69) RENFFAR1CASP3SENP8SENP7
SCHEMBL6042402 0.77 GPBAR1 (0.44) GPR119
SCHEMBL6955011 0.77 REN (0.39) RENADORA2BFFAR1TSHRMAPT
SCHEMBL6041911 0.76 REN (0.57) RENFFAR1MAPTMEN1KMT2A

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 1485/4885ADORA2B 852/4885FFAR1 4168/4885

“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.