SCHEMBL3028294

SCHEMBL3028294

CCOc1nc(Nc2ccc(N(CC)CC)cc2C)nc(N2CCN(c3ccc(OC)cc3)C(C)(C)C2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RECQL P46063 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
PSEN1 P49768 4/20 0.47
PSEN2 P49810 4/20 0.47
APH1B Q8WW43 4/20 0.47
NCSTN Q92542 4/20 0.47
APH1A Q96BI3 4/20 0.47
PSENEN Q9NZ42 4/20 0.47
MAPK1 P28482 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
HTT P42858 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PDE4B Q07343 1/20 0.38

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
SCHEMBL3017245 0.88 PSEN1 (0.45) MAPTNPSR1MEN1KMT2APSEN1
SCHEMBL3017785 0.84 PSEN1 (0.55) MAPTNPSR1PSEN1PSEN2APH1B
SCHEMBL3022690 0.83 PSEN1 (0.47) MAPTNPSR1PSEN1PSEN2APH1B
SCHEMBL3023898 0.82 PSEN1 (0.46) MAPTNPSR1RECQLKMT2APSEN1
SCHEMBL3029902 0.82 PSEN1 (0.46) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL3033420 0.82 PSEN1 (0.46) MAPTPSEN1PSEN2APH1BNCSTN
SCHEMBL3028003 0.81 PSEN1 (0.46) MAPTMEN1KMT2APSEN1PSEN2
SCHEMBL3018820 0.81 POLB (0.49) MAPTNPSR1MEN1KMT2APSEN1
SCHEMBL3032792 0.80 PSEN1 (0.52) MAPTNPSR1PSEN1PSEN2APH1B
SCHEMBL3011601 0.80 PSEN1 (0.52) MAPTNPSR1MEN1KMT2APSEN1

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 MAPT 8/4885NPSR1 449/4885RECQL 3878/4885

“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.