SCHEMBL220309

SCHEMBL220309

O=C(O)C(c1ccccc1)C1CCCCN1P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.42
CHRM3 P20309 2/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
HTR1E P28566 1/20 0.41
KMT2A Q03164 1/20 0.41
S1PR3 Q99500 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL2739016 0.87
SCHEMBL27740616 0.83
SCHEMBL7593196 0.80 CHRM3 (0.55) KDM4ECHRM3
SCHEMBL27761286 0.79 TSHR (0.42) KDM4EMEN1KMT2ATSHR
SCHEMBL14470862 0.77 KDM4E (0.48) KDM4ELMNAGAACHRM3MEN1
SCHEMBL2739021 0.77
SCHEMBL2739017 0.75
SCHEMBL2739019 0.75
SCHEMBL5665485 0.75 KDM4E (0.46) KDM4ELMNAGAACHRM3MEN1
SCHEMBL69127 0.72 HTR1E (0.65) LMNACHRM3MEN1MAPTHTR1E

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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
US-20060035863-A1 Noncardiotoxic pharmaceutical compounds B&G PARTNERS, LLC 2006-02-16 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-20060035863-A1 Noncardiotoxic pharmaceutical compounds KCNN3, TNNI3, TNNT2 KDM4E 3018/4885LMNA 204/4885GAA 151/4885

“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.