SCHEMBL6043585

SCHEMBL6043585

COc1ccccc1SCCCOS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
PTGS2 P35354 12/20 0.44
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
MMP9 P14780 1/20 0.40
ALOX15 P16050 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPK1 P28482 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
SCHEMBL10904132 0.78 MTNR1A (0.53) MTNR1AMTNR1BPTGS2ALDH1A1KMT2A
SCHEMBL6042192 0.78 ALDH1A1 (0.49) MTNR1AMTNR1BALDH1A1TSHRKDM4E
SCHEMBL2284298 0.77 MTNR1A (0.62) MTNR1AMTNR1BPTGS2ALDH1A1TSHR
SCHEMBL30753695 0.77 MTNR1A (0.62) MTNR1AMTNR1BPTGS2ALDH1A1TSHR
SCHEMBL423421 0.76 PTGS2 (0.66) MTNR1AMTNR1BPTGS2
SCHEMBL13668910 0.75 MTNR1A (0.61) MTNR1AMTNR1BPTGS2ALDH1A1
SCHEMBL6041415 0.74 MTNR1A (0.56) MTNR1AMTNR1BPTGS2ALDH1A1TSHR
SCHEMBL21101966 0.74 PTGS2 (0.65) MTNR1AMTNR1BPTGS2
SCHEMBL5316867 0.73 PTGS2 (0.66) MTNR1AMTNR1BPTGS2
SCHEMBL11603765 0.73 PTGS2 (0.66) MTNR1AMTNR1BPTGS2ALDH1A1LMNA

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 MTNR1A 117/4885MTNR1B 130/4885PTGS2 1992/4885

“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.