SCHEMBL165326

SCHEMBL165326

Cn1ccc(C2CCCN2C(=O)c2cccc(C(=O)O)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JMJD6 Q6NYC1 1/20 0.47
ROCK2 O75116 1/20 0.46
KCNK3 O14649 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.44
ADAM17 P78536 1/20 0.42
GRM5 P41594 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
SCHEMBL175142 0.88 JMJD6 (0.50) JMJD6ROCK2KCNK3ADAM17
SCHEMBL27918993 0.81 ROCK2 (0.46) ROCK2L3MBTL3GRM5
SCHEMBL20187358 0.80 ADAM17 (0.46) JMJD6KCNK3ADAM17
SCHEMBL164387 0.78 PARP14 (0.60) ROCK2L3MBTL3
SCHEMBL165920 0.77 ROCK2 (0.48) ROCK2L3MBTL3GRM5
SCHEMBL165005 0.76 SCD (0.55) ROCK2L3MBTL3
SCHEMBL167401 0.74 ROCK2 (0.46) ROCK2L3MBTL3
SCHEMBL166646 0.74 CHRNB2 (0.50) ROCK2KCNK3GRM5
SCHEMBL166844 0.74 ALDH1A1 (0.65) ROCK2
SCHEMBL166687 0.73 CPT2 (0.50) ROCK2L3MBTL3GRM5

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-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP 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 JMJD6 2768/4885ROCK2 1674/4885KCNK3 1995/4885

“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.