SCHEMBL8144017

SCHEMBL8144017

CCN(CC)c1ccc(Nc2ccnc(N3CCNCC3)n2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.49
HSP90AB1 P08238 7/20 0.49
ROCK2 O75116 9/20 0.46
ROCK1 Q13464 2/20 0.46
ACHE P22303 3/20 0.46
KHK P50053 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
SCHEMBL3480967 0.90 CCR4 (0.43) HSP90AA1HSP90AB1ROCK2ROCK1ACHE
SCHEMBL3480883 0.87 CCR4 (0.49) HSP90AA1HSP90AB1ROCK2ROCK1KHK
SCHEMBL8141002 0.86 PSEN1 (0.41) HSP90AA1HSP90AB1ROCK2ROCK1
SCHEMBL3480857 0.85 IGLV6-57 (0.38) HSP90AA1HSP90AB1ROCK2
SCHEMBL3029387 0.83 ROCK2 (0.50) HSP90AA1HSP90AB1ROCK2ROCK1ACHE
SCHEMBL8141252 0.82 CCNE1 (0.47)
SCHEMBL3480694 0.81 PSEN1 (0.42) HSP90AA1HSP90AB1ROCK2ROCK1
SCHEMBL3017764 0.81 ALK (0.46) HSP90AA1HSP90AB1
SCHEMBL3480665 0.80 CDK2 (0.41)
SCHEMBL3480972 0.80 CDK2 (0.41) HSP90AA1HSP90AB1ROCK2ROCK1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 US disclosed
WO-2008099210-A2 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-08-21 WO 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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP HSP90AA1 236/4885HSP90AB1 71/4885ROCK2 1773/4885

“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.