SCHEMBL5243290

SCHEMBL5243290

CC1(C)CCCCN1CC(O)CN

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
ATM Q13315 1/20 0.31
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL5243283 1.00 KDM4E (0.39) KDM4EMEN1KMT2AMAPTATM
SCHEMBL9801136 0.79 TSHR (0.32) MEN1KMT2ATSHRNFKB1CYP2C19
SCHEMBL28923052 0.78 SLC18A3 (0.35) MEN1KMT2ATSHRNFKB1CYP2C19
SCHEMBL14381938 0.76 KDM4E (0.37) KDM4EMEN1KMT2AMAPT
SCHEMBL9801738 0.76
SCHEMBL1555235 0.75 HSD11B1 (0.35)
SCHEMBL10560484 0.74
SCHEMBL14382122 0.74 KDM4E (0.38) KDM4EMEN1KMT2A
SCHEMBL9801484 0.71 ALOX15 (0.33)
SCHEMBL2058181 0.70

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 7 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
WO-2004112787-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-29 WO disclosed
WO-2004113301-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2004-12-29 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 3806/4885MEN1 2482/4885KMT2A 1080/4885

“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.