SCHEMBL5440995

SCHEMBL5440995

O=C(O)NCC(O)CNCc1cc(F)cc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.46
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
BACE1 P56817 3/20 0.38
CTSD P07339 1/20 0.38

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
SCHEMBL5444561 0.81 BCHE (0.46) BCHEMEN1KMT2A
SCHEMBL3563691 0.77 METAP2 (0.47) MEN1KMT2APOLBNPC1
SCHEMBL6825701 0.77 DNM1 (0.38) MEN1KMT2ANPC1BACE1CTSD
SCHEMBL5437755 0.76 BCHE (0.48) BCHEBACE1
SCHEMBL18076397 0.75 DNM1 (0.56) BCHEBACE1
SCHEMBL5433895 0.75 PLA2G1B (0.57) BCHEMEN1KMT2APOLB
SCHEMBL18076414 0.72 KMT2A (0.55) BCHEMEN1KMT2ANPC1
SCHEMBL17057052 0.71 ADRB2 (0.43) MEN1KMT2APOLBBACE1CTSD
SCHEMBL29860418 0.71 HTT (0.40) BCHE
SCHEMBL3122891 0.71 CYP2D6 (0.57) BCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213407-A1 Compounds to treat Alzheimer's disease ELAN PHARMACEUTICALS AND PHARMACIA & UPJOHN COMPANY LLC 2007-09-13 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-20070213407-A1 Compounds to treat Alzheimer's disease PSEN2, PSEN1, CHAT BCHE 8/4885MEN1 2249/4885KMT2A 1579/4885

“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.