SCHEMBL4258747

SCHEMBL4258747

CCOC(=O)CCCN1C(=O)COc2ccc(C(C)=O)cc21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.59
USP2 O75604 1/20 0.56
HTT P42858 1/20 0.56
POLB P06746 3/20 0.52
TP53 P04637 2/20 0.51
THRB P10828 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TSHR P16473 2/20 0.47
KMO O15229 1/20 0.47

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
SCHEMBL8410033 0.94 HTT (0.58) MAPTUSP2HTTPOLBMEN1
SCHEMBL4256753 0.87 HTT (0.58) MAPTUSP2HTTPOLBTP53
SCHEMBL4249933 0.87 HTT (0.73) MAPTUSP2HTTKMT2ATSHR
SCHEMBL4250777 0.86 HTT (0.55) MAPTUSP2HTTPOLBTP53
SCHEMBL8264027 0.86 USP2 (0.57) MAPTUSP2HTTPOLBTP53
SCHEMBL1764005 0.85 MAPT (0.58) MAPTHTTPOLBTP53THRB
SCHEMBL4258732 0.84 USP2 (0.53) MAPTUSP2HTTPOLBTP53
SCHEMBL1763825 0.81 MAPT (0.56) MAPTUSP2HTTPOLBTP53
SCHEMBL10184668 0.81 POLB (0.52) MAPTUSP2HTTPOLBTP53
SCHEMBL8409946 0.80 HTT (0.57) MAPTUSP2HTTPOLBTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207163-B2 Compositions, synthesis, and methods of using piperazine based antipsychotic agents REVIVA PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents REVIVA PHARMACEUTICALS, INC. (US) 2009-12-03 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-20090298819-A1 Compositions, Synthesis, And Methods Of Using Piperazine Based Antipsychotic Agents GRIK5, GAP43, GRIN2D MAPT 692/4885USP2 3572/4885HTT 1182/4885

“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.