SCHEMBL5241963

SCHEMBL5241963

CC1CCCN(C[C@H](O)CN)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 1.00
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
CYP2D6 P10635 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CASP2 P42575 1/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 2/20 0.44
SLC6A9 P48067 1/20 0.44
GAA P10253 1/20 0.44
CYP2C19 P33261 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ACKR3 P25106 1/20 0.39
CCR5 P51681 1/20 0.39
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL5240816 1.00 KDM4E (1.00) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL24322681 1.00 KDM4E (1.00) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL5241782 1.00 KDM4E (1.00) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL17277535 0.89 KDM4E (0.81) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL28348326 0.86 KDM4E (0.75) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL28464068 0.83 KDM4E (0.71) KDM4EMAPK1HSD17B10MEN1KMT2A
Hydrochloric Acid SCHEMBL28467441 0.81 KDM4E (0.69) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL26433912 0.80 KDM4E (0.67) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL26446025 0.80 KDM4E (0.67) KDM4EMAPK1HSD17B10MEN1KMT2A
SCHEMBL26433902 0.80 KDM4E (0.67) KDM4EMAPK1HSD17B10MEN1KMT2A

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
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
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 3806/4885MAPK1 1913/4885HSD17B10 1118/4885

“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.