SCHEMBL219989

SCHEMBL219989

CCOP(=O)(OCC)N1CCN(c2ncccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
KDM4E B2RXH2 3/20 0.44
MDM2 Q00987 1/20 0.44
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 3/20 0.41
PSMD14 O00487 1/20 0.41
MMP2 P08253 1/20 0.41
NPC1 O15118 2/20 0.40
SLC6A7 Q99884 1/20 0.39
DRD4 P21917 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL15443857 0.86 LMNA (0.44) LMNAKDM4EMDM2KMT2AMAPT
SCHEMBL2739057 0.82 MAPT (0.49) LMNAKDM4EKMT2AMAPTRAB9A
SCHEMBL13575585 0.77 TP53 (0.48) KMT2AMEN1
SCHEMBL8928315 0.77 TP53 (0.48) KMT2AMEN1
SCHEMBL20019684 0.74 MAPT (0.47) LMNAKDM4EKMT2AMAPTRAB9A
SCHEMBL2739055 0.73 MAPT (0.46) LMNAKDM4EKMT2AMAPTRAB9A
SCHEMBL217410 0.73 LMNA (0.49) LMNAKDM4EKMT2AMAPTRAB9A
SCHEMBL408770 0.73 LMNA (0.40) LMNAKDM4EKMT2AMAPTRAB9A
SCHEMBL2739058 0.73 MAPT (0.51) LMNAKDM4EKMT2AMAPTRAB9A
SCHEMBL22001600 0.72 LMNA (0.42) LMNAKDM4EKMT2AMAPTRAB9A

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 4 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
EP-1778252-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS Barbeau, Donald L. (US) 2007-05-02 EP disclosed
WO-2006020573-A2 NONCARDIOTOXIC PHARMACEUTICAL COMPOUNDS BARBEAU DONALD L (US) 2006-02-23 WO 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 LMNA 204/4885KDM4E 3018/4885MDM2 4730/4885

“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.