SCHEMBL448245

SCHEMBL448245

O=C1NC(=O)C2(N1)c1cc(Br)ccc1CCC2CC1CCN(CC(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.34
AKR1A1 P14550 1/20 0.34
DPP4 P27487 1/20 0.33
BACE1 P56817 4/20 0.32
PLD2 O14939 1/20 0.32
PLD1 Q13393 1/20 0.32
CXCR3 P49682 1/20 0.32
OPRM1 P35372 1/20 0.32
ADAMTS5 Q9UNA0 5/20 0.31
MMP13 P45452 3/20 0.31
MMP2 P08253 2/20 0.31
ADAMTS4 O75173 1/20 0.31
CYP3A4 P08684 1/20 0.31
MMP14 P50281 1/20 0.31

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
SCHEMBL448127 0.86 BACE1 (0.37) DPP4BACE1PLD2PLD1OPRM1
SCHEMBL447753 0.84 BACE1 (0.43) BACE1PLD2PLD1
SCHEMBL448810 0.75 BACE1 (0.43) BACE1
SCHEMBL448182 0.72 ACHE (0.46) BACE1CYP3A4
SCHEMBL447809 0.69 AKR1B1 (0.42) AKR1B1AKR1A1BACE1CYP3A4
SCHEMBL11349311 0.59 TSHR (0.65) AKR1B1AKR1A1
SCHEMBL29964208 0.58 SLC18A3 (0.57)
SCHEMBL878261 0.58 BACE1 (0.41) AKR1B1AKR1A1BACE1
SCHEMBL445942 0.58 BACE1 (0.48) BACE1
SCHEMBL446718 0.58 BACE1 (0.50) AKR1B1BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. 2012-03-15 US disclosed
WO-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 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-20120065195-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES APP, BACE1, PSEN1 AKR1B1 112/4885AKR1A1 172/4885DPP4 1106/4885

“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.