SCHEMBL5757213

SCHEMBL5757213

COC(=O)[C@H](C)Oc1cccc2ncccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F9 P00740 1/20 0.50
PLAU P00749 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CACNA2D1 P54289 12/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FABP5 Q01469 1/20 0.44
NR3C1 P04150 1/20 0.43

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
SCHEMBL6313497 1.00 F9 (0.50) F9PLAUMEN1KMT2ACACNA2D1
SCHEMBL6274946 0.86 KMT2A (0.50) MEN1KMT2ACACNA2D1SMN1; SMN2HSD17B10
SCHEMBL3133596 0.86 KMT2A (0.50) MEN1KMT2ACACNA2D1SMN1; SMN2HSD17B10
SCHEMBL13318742 0.85 CACNA2D1 (0.42) MEN1KMT2ACACNA2D1FABP5NR3C1
SCHEMBL5756023 0.84 KMT2A (0.49) MEN1KMT2ACACNA2D1SMN1; SMN2HSD17B10
SCHEMBL5756012 0.84 KMT2A (0.49) MEN1KMT2ACACNA2D1SMN1; SMN2HSD17B10
SCHEMBL5756016 0.83 MEN1 (0.43) MEN1KMT2ACACNA2D1FABP5NR3C1
SCHEMBL15818865 0.79 POLB (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5792452 0.79 POLB (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL5792686 0.79 POLB (0.59) MEN1KMT2ASMN1; SMN2L3MBTL1

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
EP-1663234-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS Pfizer Limited (GB) 2006-06-07 EP disclosed
US-20050043300-A1 Piperazine derivatives PFIZER INC. 2005-02-24 US disclosed
WO-2005016344-A1 PIPERAZINE DERIVATIVES FOR THE TREATMENT OF HIV INFECTIONS PFIZER LIMITED (GB) 2005-02-24 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-20050043300-A1 Piperazine derivatives CD4, CCR5, RRP15 F9 3855/4885PLAU 4760/4885MEN1 4800/4885

“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.