SCHEMBL4516038

SCHEMBL4516038

CCCC[C@@H](O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 1/20 0.88
EPHX1 P07099 1/20 0.48
TRPA1 O75762 1/20 0.47
REN P00797 2/20 0.46
SLC6A2 P23975 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
MAOA P21397 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CYP2A6 P11509 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
LAP3 P28838 3/20 0.44
CYP2D6 P10635 3/20 0.44
ANPEP P15144 2/20 0.44
SPHK1 Q9NYA1 1/20 0.44
GMNN O75496 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 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
SCHEMBL4508560 1.00 CSNK1E (0.88) CSNK1EEPHX1TRPA1RENSLC6A2
SCHEMBL27648870 1.00 CSNK1E (0.88) CSNK1EEPHX1TRPA1RENSLC6A2
SCHEMBL6345558 0.90 CSNK1E (0.72) CSNK1EEPHX1TRPA1RENSLC6A2
SCHEMBL11590730 0.89 CSNK1E (0.76) CSNK1EEPHX1TRPA1SLC6A2TAAR1
SCHEMBL3651529 0.84 CSNK1E (0.63) CSNK1ETRPA1SIGMAR1CNR2
SCHEMBL14491032 0.82 CSNK1E (0.65) CSNK1EEPHX1TRPA1SLC6A2TAAR1
SCHEMBL3847568 0.82 EPHX1 (0.61) CSNK1EEPHX1SLC6A2TAAR1MAOA
SCHEMBL14491041 0.82 CSNK1E (0.65) CSNK1EEPHX1TRPA1SLC6A2TAAR1
SCHEMBL21469786 0.82 EPHX1 (0.61) CSNK1EEPHX1SLC6A2TAAR1MAOA
SCHEMBL10589054 0.82 CSNK1E (0.65) CSNK1EEPHX1TRPA1SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697308-B1 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2014-03-19 EP disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
US-7550481-B2 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK & CO., INC. (US) 2009-06-23 US disclosed
EP-1697308-A4 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE MERCK & CO INC (US) 2007-08-22 EP disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
US-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 US disclosed
EP-1697308-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER S DISEASE Merck & Co., Inc. (US) 2006-09-06 EP disclosed
WO-2005065195-A2 PHENYLAMIDE AND PYRIDYLAMIDE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK & CO., INC. (US) 2005-07-21 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP CSNK1E 775/4885EPHX1 213/4885TRPA1 3515/4885

“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.