SCHEMBL287415

SCHEMBL287415

Cc1cc(C(=O)O)n(C2CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.41
TSHR P16473 1/20 0.40
KCNJ6 P48051 11/20 0.39
KCNJ3 P48549 11/20 0.39
KCNJ5 P48544 8/20 0.39
HCAR3 P49019 1/20 0.39
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
KDM5A P29375 1/20 0.36
LMNA P02545 1/20 0.36
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35

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
SCHEMBL9682398 0.93 KCNJ3 (0.43) TSHRKCNJ6KCNJ3KCNJ5HCAR3
SCHEMBL25400204 0.93 KCNJ3 (0.45) KCNJ6KCNJ3KCNJ5HCAR3KDM4E
Hydrochloric Acid SCHEMBL9681843 0.92 KCNJ3 (0.42) TSHRKCNJ6KCNJ3KCNJ5HCAR3
SCHEMBL22637656 0.89 KCNJ6 (0.46) TSHRKCNJ6KCNJ3KCNJ5
SCHEMBL27256373 0.80 HCAR3 (0.40) NOTUMHCAR3KDM4EGRNSORT1
SCHEMBL16244656 0.79 SMN1; SMN2 (0.45) TSHRKCNJ6KCNJ3KCNJ5LMNA
SCHEMBL27256143 0.79 HCAR3 (0.39) NOTUMHCAR3KDM4EGRNSORT1
SCHEMBL27258753 0.79 HCAR3 (0.39) NOTUMHCAR3LMNAKDM4EGRN
SCHEMBL3060712 0.78 KCNJ6 (0.42) KCNJ6KCNJ3KCNJ5KDM4E
SCHEMBL9681838 0.78 KCNJ6 (0.40) KCNJ6KCNJ3KCNJ5KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN claimed
WO-2010128058-A1 DIHYDROPYRIMIDINONES FOR USE AS BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-11 WO claimed
US-20100286158-A1 DIHYDROPYRIMIDINONES HOFFMANN-LA ROCHE, INC. 2010-11-11 US claimed
US-8461160-B2 Dihydropyrimidinones HOFFMANN-LA ROCHE, INC. (US) 2013-06-11 US disclosed
CN-102421760-A Dihydropyrimidinones useful as BACE2 inhibitors HOFFMANN LA ROCHE 2012-04-18 CN 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

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 NOTUM 2458/4885TSHR 4422/4885KCNJ6 1525/4885

“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.