SCHEMBL16197643

SCHEMBL16197643

Fc1ccc2c(c1)cc1n2CCN(CCCCN2CCCCC2)C1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.70
HTR1A P08908 1/20 0.49
HRH3 Q9Y5N1 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
DRD2 P14416 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRM2 Q14416 1/20 0.42
P2RX7 Q99572 1/20 0.41
DRD3 P35462 1/20 0.41
KCNH2 Q12809 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
SCHEMBL16197834 1.00 SIGMAR1 (0.70) SIGMAR1HTR1AHRH3MEN1KMT2A
SCHEMBL16197459 0.95 SIGMAR1 (0.66) SIGMAR1HTR1AMEN1KMT2ALMNA
SCHEMBL16197529 0.84 HTR1A (0.67) SIGMAR1HTR1AHRH3DRD3KCNH2
SCHEMBL16208514 0.83 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16197800 0.83 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16197672 0.81 SIGMAR1 (0.67) SIGMAR1HTR1AHRH3DRD3KCNH2
SCHEMBL16197568 0.79 SIGMAR1 (0.50) SIGMAR1HTR1ADRD3KCNH2
SCHEMBL16197437 0.78 SIGMAR1 (0.65) SIGMAR1HTR1ADRD3KCNH2
SCHEMBL16208332 0.78 SIGMAR1 (0.65) SIGMAR1HTR1ADRD3KCNH2
Hydrochloric Acid SCHEMBL16197572 0.77 SIGMAR1 (0.64) SIGMAR1HTR1ADRD3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2989105-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2020-03-11 EP claimed
US-9879015-B2 Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-01-30 US claimed
US-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-03 US claimed
EP-2989105-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-2014173903-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-2989105-B1 PYRAZINO[1,2-A]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS SA (ES) 2020-03-11 EP disclosed
US-9879015-B2 Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-01-30 US disclosed
US-9879015-B2 Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-01-30 US disclosed
US-9879015-B2 Pyrazino[1,2-a]indole compounds, their preparation and use in medicaments LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2018-01-30 US disclosed
US-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-03 US disclosed
US-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-03 US disclosed
US-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE PHARMACEUTICALS, S.A. (ES) 2016-03-03 US disclosed
EP-2989105-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-2014173903-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
WO-2014173903-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-20160060268-A1 PYRAZINO[1,2-a]INDOLE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS IDO1, TPH1, IDO2 SIGMAR1 168/4885HTR1A 13/4885HRH3 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.