SCHEMBL298465

SCHEMBL298465

CCC[C@@]1(c2cccc(NC(=O)c3ccn(C)n3)c2)CC(=O)N(C)C(N)=N1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 17/20 0.53
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
BACE2 Q9Y5Z0 5/20 0.44
PKM P14618 1/20 0.41
CBLB Q13191 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
SCHEMBL297999 0.87 BACE1 (0.58) BACE1NPC1RAB9ASMN1; SMN2BACE2
SCHEMBL298167 0.85 BACE1 (0.73) BACE1
SCHEMBL297915 0.84 BACE1 (0.72) BACE1NPC1RAB9AMEN1TP53
SCHEMBL297018 0.84 BACE1 (0.56) BACE1BACE2
SCHEMBL297469 0.79 BACE1 (0.60) BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL568898 0.79 BACE1 (0.45) BACE1BACE2
SCHEMBL298397 0.79 BACE1 (0.47) BACE1BACE2
SCHEMBL13028246 0.79 BACE1 (0.59) BACE1BACE2
SCHEMBL296989 0.78 BACE1 (0.76) BACE1
SCHEMBL7858926 0.77 BACE1 (0.62) BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
EP-2427437-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-14 EP disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US disclosed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 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-20100286158-A1 DIHYDROPYRIMIDINONES BACE2, BACE1, PSEN2 BACE1 2/4885NPC1 332/4885RAB9A 1604/4885

“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.