SCHEMBL3029455

SCHEMBL3029455

COc1ccc(N2CCN(c3cc(C(=O)N4CCCC4)cc(Nc4cc(C(C)(C)C)ccc4C)n3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 4/20 0.53
HTT P42858 1/20 0.53
PSEN1 P49768 4/20 0.51
PSEN2 P49810 4/20 0.51
APH1B Q8WW43 4/20 0.51
NCSTN Q92542 4/20 0.51
APH1A Q96BI3 4/20 0.51
PSENEN Q9NZ42 4/20 0.51
MAPT P10636 5/20 0.47
LMNA P02545 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TSHR P16473 2/20 0.47
GALR2 O43603 1/20 0.45
POLB P06746 3/20 0.45
GAA P10253 2/20 0.44
GBA1 P04062 1/20 0.44
GFER P55789 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL3027084 0.94 ALDH1A1 (0.52) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL8140836 0.90 PSEN1 (0.51) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3027723 0.90 PSEN1 (0.53) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3023884 0.89 PSEN1 (0.55) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3028270 0.87 PSEN1 (0.51) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3028303 0.85 PSEN1 (0.46) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3017235 0.84 PSEN1 (0.52) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3028320 0.82 PSEN1 (0.45) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL8141028 0.81 PSEN1 (0.52) ALDH1A1KDM4EHTTPSEN1PSEN2
SCHEMBL3023365 0.80 PSEN1 (0.56) ALDH1A1KDM4EHTTPSEN1PSEN2

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
US-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS MERCK SHARP & DOHME CORP. 2010-08-12 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-20100204230-A1 PIPERAZINE DERIVATIVES FOR TREATMENT OF AD AND RELATED CONDITIONS PSEN1, PSEN2, APP ALDH1A1 384/4885KDM4E 3421/4885HTT 430/4885

“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.