SCHEMBL6419552

SCHEMBL6419552

CC(C)(C)NC(=O)[C@H](Cc1ccccc1)NC[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
VIPR2 P41587 19/20 0.63
ABCC3 O15438 1/20 0.55
ABCB11 O95342 1/20 0.55
ABCB1 P08183 1/20 0.55
CYP3A4 P08684 1/20 0.55
TACR2 P21452 1/20 0.55
TBXAS1 P24557 1/20 0.55
SLC47A2 Q86VL8 1/20 0.55
SLC47A1 Q96FL8 1/20 0.55

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
SCHEMBL7300253 0.85 VIPR2 (0.70) VIPR2
SCHEMBL7300250 0.85 VIPR2 (0.70) VIPR2
SCHEMBL7110730 0.85 VIPR2 (0.66) VIPR2
SCHEMBL6466122 0.84 VIPR2 (0.69) VIPR2
SCHEMBL17038236 0.83 VIPR2 (0.69) VIPR2
SCHEMBL17038205 0.82 VIPR2 (0.81) VIPR2
SCHEMBL15714613 0.81 VIPR2 (0.66) VIPR2
SCHEMBL15713420 0.81 VIPR2 (0.66) VIPR2
SCHEMBL17038231 0.81 VIPR2 (0.64) VIPR2
SCHEMBL15713510 0.81 VIPR2 (0.68) VIPR2

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-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease ELAN PHARMACEUTICALS, INC. 2005-02-03 US disclosed
EP-1434580-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-07-07 EP disclosed
WO-2003030886-A2 ALLYLAMIDES USEFUL IN THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC (US) 2003-04-17 WO disclosed
US-5413999-A structure is piperazine containing amides MERCK & CO., INC. (US) 1995-05-09 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-20050027007-A1 Allylamides useful in the treatment of alzheimer's disease BACE1, BACE2, APBA1 VIPR2 1641/4885ABCC3 1057/4885ABCB11 1834/4885

“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.