SCHEMBL3027898

SCHEMBL3027898

COc1ccc(N2CCN(c3ncc(Nc4cc(C(C)(C)C)ccc4C)cn3)CC2(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 5/20 0.72
PSEN2 P49810 5/20 0.72
APH1B Q8WW43 5/20 0.72
NCSTN Q92542 5/20 0.72
APH1A Q96BI3 5/20 0.72
PSENEN Q9NZ42 5/20 0.72
BRAF P15056 8/20 0.39
KIT P10721 1/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL3018979 0.88 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3019623 0.87 PSEN1 (0.69) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023188 0.86 PSEN1 (0.77) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027747 0.84 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3019415 0.84 PSEN1 (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3032808 0.83 PSEN1 (0.81) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3023918 0.83 PSEN1 (0.66) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3030559 0.83 PSEN1 (0.72) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL8146489 0.82 PSEN1 (0.70) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3027057 0.82 PSEN1 (0.79) PSEN1PSEN2APH1BNCSTNAPH1A

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 PSEN1 1/4885PSEN2 2/4885APH1B 13/4885

“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.