SCHEMBL4524080

SCHEMBL4524080

CC(C)(C)OC(=O)NC1CCCc2cc(CCC3SCCCS3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
BDKRB1 P46663 9/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL4524083 1.00 ALDH1A1 (0.38) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL13499150 0.90 ALDH1A1 (0.39) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL13499148 0.85 HTT (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL13936477 0.82 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL1725049 0.82 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL1725050 0.82 ALDH1A1 (0.44) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL3532767 0.81 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL3537138 0.81 CFD (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL3532766 0.81 ALDH1A1 (0.43) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1
SCHEMBL3537141 0.81 CFD (0.49) ALDH1A1TAS1R3TAS1R1TAS1R2BDKRB1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US disclosed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US disclosed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP disclosed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP disclosed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 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 (2 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-20090054460-A1 Piperazine derivatives and methods of use PTGES, PTGES2, PTGIS ALDH1A1 184/4885TAS1R3 4583/4885TAS1R1 4592/4885
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects ACHE, TNF, BCHE ALDH1A1 81/4885TAS1R3 4439/4885TAS1R1 4277/4885

“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.