SCHEMBL16197260

SCHEMBL16197260

C[C@@H](C(=O)N1CCN2c3ccccc3C[C@@H]2C1)N1CCN(C2CCCCC2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 12/20 1.00
▸ GAA P10253 1/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ CHRM1 P11229 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALDH1A1 P00352 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
SCHEMBL21268107 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL16197671 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL21268108 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL16197334 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL16208507 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL17583776 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL21278134 1.00 SIGMAR1 (1.00) SIGMAR1GAAHRH3KCNH2CHRM1
SCHEMBL21268109 0.87 SIGMAR1 (1.00) SIGMAR1GAAHRH3SMN1; SMN2KDM4E
SCHEMBL16197372 0.87 SIGMAR1 (1.00) SIGMAR1GAAHRH3SMN1; SMN2KDM4E
SCHEMBL16197282 0.87 SIGMAR1 (1.00) SIGMAR1GAAHRH3SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989104-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2019-08-21 — — EP claimed
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 — — US claimed
US-20160075709-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-17 — — US claimed
EP-2989104-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-03-02 — — EP claimed
WO-2014173901-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-10-30 — — WO claimed
EP-2989104-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2019-08-21 — — EP disclosed
EP-2989104-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2019-08-21 — — EP disclosed
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 — — US disclosed
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 — — US disclosed
US-9963453-B2 Substituted pyrazino[1,2-a]indoles as sigma receptor activity modulators LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-05-08 — — US disclosed
US-20160075709-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-17 — — US disclosed
US-20160075709-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-17 — — US disclosed
EP-2989104-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2016-03-02 — — EP disclosed
WO-2014173901-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2014-10-30 — — 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-20160075709-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS IDO1, TPH1, IDO2 SIGMAR1 168/4885GAA 4048/4885HRH3 1672/4885

“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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