SCHEMBL4522714

SCHEMBL4522714

CN(C)CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.49
▸ UTS2R Q9UKP6 6/20 0.48
▸ UBE2N P61088 1/20 0.45
▸ CHRM1 P11229 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BCHE P06276 1/20 0.43
▸ BACE1 P56817 2/20 0.42
▸ SLC6A11 P48066 1/20 0.42

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
SCHEMBL4522709 1.00 CCR1 (0.49) CCR1UTS2RUBE2NCHRM1NPC1
SCHEMBL6890168 0.84 BACE1 (0.50) BCHEBACE1SLC6A11
SCHEMBL6890165 0.84 BACE1 (0.50) BCHEBACE1SLC6A11
SCHEMBL26834640 0.84 HDAC3 (0.49) NPC1RAB9ABCHEBACE1SLC6A11
SCHEMBL9012913 0.81 BACE1 (0.50) NPC1RAB9ABCHEBACE1SLC6A11
SCHEMBL4523139 0.81 CNR2 (0.51) NPC1RAB9A
SCHEMBL4522530 0.81 CNR2 (0.51) NPC1RAB9A
SCHEMBL22626791 0.80 TRPA1 (0.54) NPC1RAB9ABCHEBACE1SLC6A11
SCHEMBL24414242 0.79 MMP9 (0.48) NPC1RAB9A
SCHEMBL10707926 0.77 BACE1 (0.47) NPC1RAB9ABCHEBACE1SLC6A11

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
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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease MERCK SHARP & DOHME LLC 2007-06-21 — — 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-20070142634-A1 Phenylamide and pyridylamide beta-secretase inhibitors for the treatment of alzheimer's disease BACE1, BACE2, APP CCR1 4825/4885UTS2R 3108/4885UBE2N 1253/4885

“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.

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