SCHEMBL6876403

SCHEMBL6876403

Oc1ccc(SC2CCCN(CCCCc3ccccc3)C2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.50
GRM5 P41594 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2B Q13224 1/20 0.48
KDM4E B2RXH2 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL6881131 0.96 KDM4E (0.51) KDM4EKMT2A
SCHEMBL6880262 0.93 SIGMAR1 (0.50) SIGMAR1GRM5GRIN1GRIN2BKMT2A
SCHEMBL6875081 0.93 SIGMAR1 (0.50) SIGMAR1GRM5GRIN1GRIN2BKMT2A
SCHEMBL6874312 0.93 SIGMAR1 (0.50) SIGMAR1GRM5GRIN1GRIN2BKMT2A
Hydrochloric Acid SCHEMBL6884566 0.92 SIGMAR1 (0.49) SIGMAR1GRM5GRIN1GRIN2BKMT2A
SCHEMBL6875117 0.89 SIGMAR1 (0.49) SIGMAR1GRM5GRIN1GRIN2B
Hydrochloric Acid SCHEMBL6873860 0.88 SIGMAR1 (0.48) SIGMAR1GRIN2B
SCHEMBL7140790 0.84 SIGMAR1 (0.50) SIGMAR1KDM4EKMT2A
SCHEMBL7050156 0.82 GRIN1 (0.44) GRIN1GRIN2BKDM4E
SCHEMBL6884532 0.78 OPRM1 (0.55) SIGMAR1GRM5GRIN1GRIN2B

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 5 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 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 SIGMAR1 150/4885GRM5 37/4885GRIN1 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.