SCHEMBL16197282

SCHEMBL16197282

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 11/20 1.00
▸ GAA P10253 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ADAM10 O14672 1/20 0.43
▸ ERBB2 P04626 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ATM Q13315 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ HRH3 Q9Y5N1 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
SCHEMBL21268106 1.00 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL16197791 1.00 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL16197621 1.00 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL21268109 1.00 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL16197372 1.00 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL16197676 1.00 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL16197550 0.92 SIGMAR1 (0.85) SIGMAR1GAASMN1; SMN2ADAM10ERBB2
SCHEMBL16197396 0.89 SIGMAR1 (0.80) SIGMAR1GAASMN1; SMN2HTR2AHTR2C
SCHEMBL21268107 0.87 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL21278134 0.87 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2KDM4EALDH1A1

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 13 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
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 4048/4885SMN1; SMN2 4294/4885

“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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