SCHEMBL7043578

SCHEMBL7043578

Oc1ccc(SC2CCN(CCC(O)Cc3ccccc3)C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 7/20 0.50
GRIN2A Q12879 6/20 0.50
GRIN1 Q05586 6/20 0.50
GRIN2D O15399 5/20 0.50
GRIN3B O60391 5/20 0.50
ADRA1D P25100 5/20 0.50
ADRA1A P35348 5/20 0.50
ADRA1B P35368 5/20 0.50
GRIN2C Q14957 5/20 0.50
GRIN3A Q8TCU5 5/20 0.50
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
DRD4 P21917 1/20 0.39

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
SCHEMBL6875117 0.82 SIGMAR1 (0.49) GRIN2BGRIN2AGRIN1
SCHEMBL7699990 0.81 GRIN2B (0.47) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL6873990 0.81 GRIN2B (0.47) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL7705024 0.81 GRIN2B (0.47) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL6873993 0.81 GRIN2B (0.47) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL7896159 0.81 GRIN2B (0.47) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL7700004 0.81 GRIN2B (0.47) GRIN2BGRIN2AGRIN1GRIN2DGRIN3B
SCHEMBL6874312 0.81 SIGMAR1 (0.50) GRIN2BGRIN1
Hydrochloric Acid SCHEMBL6873860 0.81 SIGMAR1 (0.48) GRIN2BGRIN2A
SCHEMBL6880262 0.81 SIGMAR1 (0.50) GRIN2BGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP claimed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP claimed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US claimed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US claimed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 WO claimed
EP-1278728-B1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
EP-1278728-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2003-01-29 EP disclosed
US-6451819-B2 PYRROLIDINE-3-YL-SULFANYL, OR SUFONYL OR SUFINYL DERIVATIVES USED IN THE TREATMENT OF NEURODEGENERATIVE DISEASES HOFFMANN-LA ROCHE INC. 2002-09-17 US disclosed
US-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers HOFFMANN-LA ROCHE INC. 2001-11-29 US disclosed
WO-2001081303-A1 PYRROLIDINE AND PIPERIDINE DERIVATIVES AND THEIR USE FOR THE TREAMENT OF NEURODEGENERATIVE DISORDERS F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 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-20010047031-A1 Heterocyclic compounds useful as NMDA receptor selective subtype blockers GRIN1, GRM1, GRIN2B GRIN2B 3/4885GRIN2A 6/4885GRIN1 1/4885

“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.