SCHEMBL3017764

SCHEMBL3017764

CCN(CC)c1ccc(Nc2ccnc(N3CCN(c4ccc(OC)c(OC)c4)CC3)n2)c(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.46
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
GFER P55789 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MAPK10 P53779 1/20 0.37
SUV39H2 Q9H5I1 1/20 0.37
EGFR P00533 5/20 0.37
P2RX7 Q99572 4/20 0.37

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
SCHEMBL8141252 0.89 CCNE1 (0.47) ALKMAPTMAPK1NPSR1CCNE1
SCHEMBL8141245 0.87 CCNE1 (0.38) ALKHSP90AA1HSP90AB1MAPTCCNE1
SCHEMBL8141002 0.85 PSEN1 (0.41) HSP90AA1HSP90AB1MAPTALDH1A1GFER
SCHEMBL8144017 0.81 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL3027774 0.80 CCNE1 (0.42) ALKMAPTCCNE1CDK2PSEN1
SCHEMBL3480971 0.80 MAP4K1 (0.40) HSP90AA1HSP90AB1CCNE1CDK2EGFR
SCHEMBL3017714 0.77 ACHE (0.56) HSP90AA1HSP90AB1CCNE1CDK2
SCHEMBL13213653 0.76 MAPT (0.46) MAPTMAPK1NPSR1CCNE1CDK2
SCHEMBL3480967 0.76 CCR4 (0.43) HSP90AA1HSP90AB1CCNE1CDK2EGFR
SCHEMBL3480857 0.75 IGLV6-57 (0.38) HSP90AA1HSP90AB1CCNE1CDK2EGFR

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 4 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
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 ALK 4715/4885HSP90AA1 236/4885HSP90AB1 71/4885

“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.