SCHEMBL6444039

SCHEMBL6444039

CC(C)(C)OC(=O)NN(Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)NC(=O)c1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.44
ABCB11 O95342 2/20 0.43
ABCB1 P08183 2/20 0.43
OPRK1 P41145 2/20 0.43
GHSR Q92847 2/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
MLNR O43193 1/20 0.43
NR1I2 O75469 1/20 0.43
SLCO2B1 O94956 1/20 0.43
UGT1A1 P22309 1/20 0.43
CCKAR P32238 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
CYP3A4 P08684 3/20 0.41
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
CACNA1F O60840 1/20 0.41
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
TACR2 P21452 1/20 0.41

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
SCHEMBL6445226 0.91 CTSD (0.48) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6443026 0.88 UGT1A1 (0.47) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL7395469 0.86 CTSD (0.43) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6444048 0.86 CYP3A4 (0.54) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6444044 0.86 CYP3A4 (0.54) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6444499 0.85 CCR1 (0.48) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6467572 0.84 CTSD (0.41) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL7290460 0.83 UGT1A1 (0.46) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6429130 0.81 CCR1 (0.52) CCR1ABCB11ABCB1OPRK1GHSR
SCHEMBL6447816 0.81 CTSD (0.49) CCR1ABCB11ABCB1OPRK1GHSR

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-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
EP-1392315-A1 METHODS OF TREATING ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-03-03 EP disclosed
WO-2002100410-A1 METHODS OF TREATING ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2002-12-19 WO disclosed
US-5753652-A Antiretroviral hydrazine derivatives NOVARTIS CORPORATION (US) 1998-05-19 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 CCR1 4439/4885ABCB11 3438/4885ABCB1 1675/4885

“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.