SCHEMBL165920

SCHEMBL165920

Cn1nccc1C1CCCN1C(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.48
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
GRM5 P41594 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
SCD5 Q86SK9 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL164337 0.88 ROCK2 (0.52) ROCK2PRMT5WDR77GRM5KDM4E
SCHEMBL20187290 0.80 PRMT5 (0.52) ROCK2PRMT5WDR77SCD5KDM4E
SCHEMBL28887472 0.80 PRMT5 (0.52) ROCK2PRMT5WDR77SCD5KDM4E
SCHEMBL165005 0.79 SCD (0.55) ROCK2L3MBTL3SCD5KDM4EALDH1A1
SCHEMBL164387 0.78 PARP14 (0.60) ROCK2L3MBTL3SCD5
SCHEMBL165326 0.77 JMJD6 (0.47) ROCK2GRM5L3MBTL3
SCHEMBL27918993 0.76 ROCK2 (0.46) ROCK2GRM5L3MBTL3KDM4EALDH1A1
SCHEMBL166646 0.76 CHRNB2 (0.50) ROCK2GRM5SCD5
SCHEMBL166844 0.76 ALDH1A1 (0.65) ROCK2KDM4EALDH1A1
SCHEMBL175026 0.76 GRM5 (0.59) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
CN-103079562-A BACE inhibitors for use in the treatment of diabetes HOFFMANN LA ROCHE 2013-05-01 CN disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 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-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 ROCK2 1674/4885PRMT5 2484/4885WDR77 3472/4885

“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.