SCHEMBL242118

SCHEMBL242118

O=C1NC(=O)C2(CCCCC2)N1c1ccc(Cl)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 3/20 0.40
RAD51 Q06609 1/20 0.40
AR P10275 4/20 0.38
AKR1B1 P15121 1/20 0.38
SLC6A4 P31645 2/20 0.37
SLC6A2 P23975 1/20 0.37
MMP2 P08253 2/20 0.37
ADAMTS5 Q9UNA0 2/20 0.37
CYP11B2 P19099 1/20 0.37
QPCT Q16769 1/20 0.36
MMP13 P45452 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CXCR3 P49682 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17077228 0.79 MAPT (0.45) ARAKR1B1
SCHEMBL244172 0.75 AR (0.64) SLC6A3RAD51ARKMT2A
SCHEMBL421867 0.73 AKR1B1 (0.37) AKR1B1QPCTMMP13
SCHEMBL201840 0.73 POLB (0.51) ARAKR1B1
SCHEMBL18961831 0.72 LMNA (0.46) SLC6A3SLC6A4SLC6A2MMP13
SCHEMBL241468 0.71 OPRL1 (0.42) SLC6A3ARSLC6A4SLC6A2
SCHEMBL2544529 0.71 MMP13 (0.46) SLC6A3SLC6A4SLC6A2QPCTMMP13
SCHEMBL190640 0.70 ALDH1A1 (0.55) KMT2A
SCHEMBL24253513 0.69 SLC6A3 (0.36) SLC6A3RAD51SLC6A4SLC6A2MMP2
SCHEMBL30423624 0.69 SLC6A3 (0.36) SLC6A3RAD51SLC6A4SLC6A2MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS AHMAD NADIA MAMOONA (GB) 2012-01-05 US disclosed
EP-2121624-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS Glaxo Group Limited (GB) 2009-11-25 EP disclosed
WO-2008092878-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS GLAXO GROUP LIMITED (GB) 2008-08-07 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-20120004273-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SLC1A2, SLC1A1, SLC18A2 SLC6A3 4/4885RAD51 1663/4885AR 1477/4885

“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.