SCHEMBL168416

SCHEMBL168416

COC(=O)c1cc(C)cc(C(=O)N2CCCC2c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.53
ROCK2 O75116 5/20 0.51
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PARP14 Q460N5 1/20 0.47
PARP10 Q53GL7 1/20 0.47
SCD5 Q86SK9 5/20 0.47
SCD O00767 4/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
PRMT5 O14744 2/20 0.45
WDR77 Q9BQA1 2/20 0.45
TACR1 P25103 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL166794 0.88 ROCK2 (0.60) RIPK1ROCK2HSP90AA1HSP90AB1PARP14
SCHEMBL166963 0.88 RIPK1 (0.54) RIPK1ROCK2HSP90AA1HSP90AB1PARP14
SCHEMBL256556 0.87 RIPK1 (0.53) RIPK1ROCK2HSP90AA1HSP90AB1PARP14
SCHEMBL164502 0.83 RIPK1 (0.46) RIPK1ROCK2HSP90AA1HSP90AB1PARP14
SCHEMBL717696 0.82 RIPK1 (0.45) RIPK1ROCK2HSP90AA1HSP90AB1PARP14
SCHEMBL167074 0.82 NPC1 (0.56) ROCK2HSP90AA1HSP90AB1HSD17B10
SCHEMBL18143043 0.81 ROCK2 (0.57) RIPK1ROCK2HSP90AA1HSP90AB1PARP14
SCHEMBL169074 0.79 ROCK2 (0.58) ROCK2HSP90AA1HSP90AB1PARP14PARP10
SCHEMBL166240 0.77 TRPV1 (0.42) ROCK2HSP90AA1HSP90AB1
SCHEMBL166241 0.77 TRPV1 (0.42) ROCK2HSP90AA1HSP90AB1

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 RIPK1 3784/4885ROCK2 1674/4885HSP90AA1 3048/4885

“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.