SCHEMBL5239830

SCHEMBL5239830

CC1CCCN1CC(O)CN

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.56
LMNA P02545 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TSHR P16473 2/20 0.42
SLC6A9 P48067 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RECQL P46063 1/20 0.40
MAPT P10636 1/20 0.38
HRH3 Q9Y5N1 8/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL24322821 1.00 KDM4E (0.56) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL5239823 1.00 KDM4E (0.56) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL5241411 1.00 KDM4E (0.56) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL24322617 1.00 KDM4E (0.56) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL24322671 0.95 KDM4E (0.54) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL13144671 0.83 LMNA (0.47) KDM4ELMNAMEN1KMT2ATSHR
SCHEMBL24322412 0.79 KDM4E (0.49) KDM4EMEN1KMT2ASLC6A9NPSR1
SCHEMBL5241524 0.79 KDM4E (0.49) KDM4EMEN1KMT2ASLC6A9NPSR1
SCHEMBL5242798 0.79 KDM4E (0.49) KDM4ESLC6A9HRH3
SCHEMBL5241862 0.79 KDM4E (0.49) KDM4EMEN1KMT2ASLC6A9NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1455777-B1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2007-11-21 EP disclosed
US-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders MDS INC., DOING BUSINESS AS MDS SCIEX (CA) 2005-12-01 US disclosed
WO-2005049023-A1 GLYT1 TRANSPORTER INHIBITORS GLAXO GROUP LIMITED (GB) 2005-06-02 WO disclosed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 EP disclosed
WO-2003055478-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2003-07-10 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-20050267152-A1 Gly1 transporter inhibitors and uses thereof in treatment of neurological and neuropsychiatric disorders SLC1A2, SLC1A1, SLC18A2 KDM4E 3806/4885LMNA 4121/4885MEN1 2482/4885

“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.