SCHEMBL16208337

SCHEMBL16208337

CC(CN1CCn2c(cc3ccccc32)C1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.65
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
OPRM1 P35372 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
Maleic Acid SCHEMBL16197603 0.93 SIGMAR1 (0.65) SIGMAR1OPRM1
Fumaric Acid SCHEMBL16197605 0.93 SIGMAR1 (0.65) SIGMAR1OPRM1
SCHEMBL19818792 0.83 SIGMAR1 (0.54) SIGMAR1
SCHEMBL16208334 0.82 SIGMAR1 (0.67) SIGMAR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL16197679 0.81 SIGMAR1 (0.66) SIGMAR1HTR2AHTR2C
SCHEMBL16208329 0.81 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2C
SCHEMBL16197666 0.79 SIGMAR1 (0.63) SIGMAR1HTR2AHTR2C
SCHEMBL16208533 0.79 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16197827 0.75 SIGMAR1 (0.55) SIGMAR1HTR2AHTR2C
SCHEMBL16208531 0.73 SIGMAR1 (1.00) SIGMAR1

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
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 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
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 168/4885HTR2A 25/4885HTR2C 24/4885

“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.