SCHEMBL6041965

SCHEMBL6041965

COc1c(S)cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.41
NR1H4 Q96RI1 1/20 0.38
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TNFRSF1A P19438 1/20 0.33
CA1 P00915 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL3096012 0.84 CA2 (0.50) CA2NR1H4GABRA1GABRB2ALOX5AP
SCHEMBL21212296 0.83 CTSS (0.43) ALDH1A1KDM4EMAPK1SMN1; SMN2PDE4A
SCHEMBL30921753 0.82 CA2 (0.48) CA2NR1H4GABRA1GABRB2ALOX5AP
SCHEMBL9696405 0.79 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL6677826 0.77 CA2 (0.43) CA2NR1H4GABRA1GABRB2ALOX5AP
SCHEMBL11646260 0.77 GABRA1 (0.52) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL31438691 0.77 SMN1; SMN2 (0.47) CA2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL8417921 0.77 SMN1; SMN2 (0.47) CA2ALDH1A1KDM4EMAPK1SMN1; SMN2
SCHEMBL14560669 0.76 CA2 (0.39) CA2NR1H4GABRA1GABRB2ALDH1A1
SCHEMBL15926506 0.76 ALDH1A1 (0.42) CA2GABRA1GABRB2ALDH1A1TSHR

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 CA2 1585/4885NR1H4 2330/4885GABRA1 2379/4885

“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.