SCHEMBL5240941

SCHEMBL5240941

O=C(O[C@@H](CNS(=O)(=O)c1cccc2ccccc12)CN1Cc2ccccc2C1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 16/20 0.50
▸ HTR7 P34969 2/20 0.47
▸ RORA P35398 1/20 0.41
▸ RORC P51449 1/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41

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
SCHEMBL5285179 0.89 SLC6A9 (0.64) SLC6A9
SCHEMBL5243172 0.83 SLC6A9 (0.51) SLC6A9HTR7
SCHEMBL5281088 0.83 SLC6A9 (0.66) SLC6A9
SCHEMBL5245456 0.82 SLC6A9 (0.69) SLC6A9HTR7
SCHEMBL5242247 0.82 SLC6A9 (0.69) SLC6A9HTR7
SCHEMBL5281363 0.80 SLC6A9 (0.68) SLC6A9
SCHEMBL5243520 0.80 SLC6A9 (0.51) SLC6A9
SCHEMBL5278030 0.80 SLC6A9 (0.51) SLC6A9
SCHEMBL5273842 0.80 SLC6A9 (0.68) SLC6A9
SCHEMBL5242939 0.80 SLC6A9 (0.68) SLC6A9

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 8 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 claimed
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 claimed
EP-1455777-A1 GLYT1 TRANSPORTER INHIBITORS AND USES THEREOF IN TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS SMITHKLINE BEECHAM PLC (GB) 2004-09-15 — — EP claimed
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 claimed
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
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 SLC6A9 5/4885HTR7 287/4885RORA 3489/4885

“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.

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