SCHEMBL217410

SCHEMBL217410

O=P(O)(O)N1CCN(c2ncccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.48
KDM4E B2RXH2 6/20 0.47
GAA P10253 2/20 0.47
HTT P42858 2/20 0.47
CYP2C19 P33261 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLC6A7 Q99884 2/20 0.43
TSHR P16473 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
SCHEMBL14995241 0.85 LMNA (0.46) LMNAMAPTKDM4EGAAHTT
SCHEMBL2739055 0.81 MAPT (0.46) LMNAMAPTKDM4EGAAHTT
SCHEMBL6663539 0.78
SCHEMBL10498542 0.78 LMNA (0.70) LMNAMAPTKDM4EGAAHTT
SCHEMBL2739056 0.77 KDM4E (0.53) LMNAMAPTKDM4EGAAHTT
SCHEMBL2739057 0.77 MAPT (0.49) LMNAMAPTKDM4EGAAHTT
SCHEMBL20019684 0.75 MAPT (0.47) LMNAMAPTKDM4EGAANPC1
SCHEMBL28473908 0.75 LMNA (0.44) LMNAMAPTKDM4EGAAHTT
SCHEMBL219990 0.73 KDM4E (0.41) LMNAMAPTKDM4EGAAHTT
SCHEMBL219989 0.73 LMNA (0.45) LMNAMAPTKDM4ENPC1RAB9A

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 6 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-8088918-B2 Noncardiotoxic pharmaceutical compounds WILLIAMSBURG HOLDINGS LLC (US) 2012-01-03 US disclosed
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 204/4885MAPT 2361/4885KDM4E 3018/4885

“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.