SCHEMBL4539386

SCHEMBL4539386

COC(=O)C1C(=O)NCCC1c1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
SLC6A3 Q01959 6/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 2/20 0.47
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL29434375 0.87 KDM4E (0.53) ATMSLC6A3MEN1POLBKMT2A
SCHEMBL11863807 0.87 KDM4E (0.53) ATMSLC6A3MEN1POLBKMT2A
SCHEMBL19857212 0.87 KDM4E (0.53) ATMSLC6A3MEN1POLBKMT2A
SCHEMBL16785349 0.87 KDM4E (0.53) ATMSLC6A3MEN1POLBKMT2A
SCHEMBL28530032 0.86 FPR1 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL20411542 0.86 FPR1 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL20411539 0.86 FPR1 (0.56) SLC6A3SLC6A4SLC6A2
SCHEMBL7736125 0.85 MAPT (0.56) MEN1KMT2A
SCHEMBL7278537 0.79 SLC6A4 (0.50) ATMSLC6A3SLC6A4SLC6A2
SCHEMBL3649072 0.76 SLC6A3 (0.49) ATMSLC6A3SLC6A4SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1983993-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2008-10-29 EP disclosed
WO-2007092364-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-08-16 WO 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-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 ATM 3446/4885SLC6A3 651/4885SLC6A4 441/4885

“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.