SCHEMBL297469

SCHEMBL297469

CC[C@@]1(c2cccc(NC(=O)c3ccccn3)c2)CC(=O)N(C)C(N)=N1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 11/20 0.60
GRM4 Q14833 6/20 0.47
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 1/20 0.45
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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 0.93 BACE1 (0.58) BACE1GRM4HCRTR1HCRTR2HDAC6
SCHEMBL13028246 0.88 BACE1 (0.59) BACE1
SCHEMBL7861170 0.88 BACE1 (0.54) BACE1GRM4
SCHEMBL296989 0.87 BACE1 (0.76) BACE1
SCHEMBL287127 0.87 BACE1 (0.78) BACE1GRM4
SCHEMBL7858926 0.86 BACE1 (0.62) BACE1
SCHEMBL298186 0.85 BACE1 (0.63) BACE1
SCHEMBL287028 0.84 BACE1 (0.60) BACE1
SCHEMBL298100 0.83 BACE1 (0.53) BACE1NPC1RAB9ASMN1; SMN2
SCHEMBL297840 0.81 BACE1 (0.50) BACE1

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
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
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO 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 2/4885GRM4 3905/4885HCRTR1 807/4885

“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.