SCHEMBL12359803

SCHEMBL12359803

CC(=O)c1ccc2c(c1)oc(=O)n2C[C@H]1C[C@H]1CN1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.72
▸ HTR2A P28223 1/20 0.72
▸ SLC6A4 P31645 1/20 0.72
▸ SLC6A3 Q01959 1/20 0.72

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
SCHEMBL12359796 1.00 SLC6A2 (0.72) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124482 0.85 SLC6A2 (0.89) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124408 0.84 SLC6A2 (1.00) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124445 0.84 SLC6A2 (0.96) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124485 0.83 SLC6A2 (0.75) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124488 0.83 SLC6A2 (0.75) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124469 0.83 SLC6A2 (0.98) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124491 0.83 SLC6A2 (0.98) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124457 0.83 SLC6A2 (0.75) SLC6A2HTR2ASLC6A4SLC6A3
SCHEMBL12124668 0.81 SLC6A2 (0.61) SLC6A2HTR2ASLC6A4SLC6A3

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
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIV MISSISSIPPI (US) 2014-10-23 — — US disclosed
US-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS UNIV MISSISSIPPI (US) 2014-10-23 — — US disclosed
US-8809381-B2 Highly selective sigma receptor ligands THE UNIVERSITY OF MISSISSIPPI (US) 2014-08-19 — — US disclosed
US-8809381-B2 Highly selective sigma receptor ligands THE UNIVERSITY OF MISSISSIPPI (US) 2014-08-19 — — US disclosed
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS L'UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2011-08-11 — — US disclosed
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS L'UNIVERSITE CATHOLIQUE DE LOUVAIN (BE) 2011-08-11 — — US 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 (2 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-20140315919-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 SLC6A2 241/4885HTR2A 45/4885SLC6A4 215/4885
US-20110195955-A1 HIGHLY SELECTIVE SIGMA RECEPTOR LIGANDS SIGMAR1, OPRD1, OPRM1 SLC6A2 241/4885HTR2A 45/4885SLC6A4 215/4885

“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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