SCHEMBL16208334

SCHEMBL16208334

c1ccc(CC2CCN(CCN3CCn4c(cc5ccccc54)C3)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.67
CCR3 P51677 3/20 0.52
HTR2A P28223 2/20 0.52
HTR2C P28335 2/20 0.52
CARM1 Q86X55 2/20 0.51
PRMT6 Q96LA8 2/20 0.51
PRMT3 O60678 1/20 0.51
PRMT1 Q99873 1/20 0.51
PRMT8 Q9NR22 1/20 0.51
HTR1A P08908 1/20 0.51
SLC6A2 P23975 4/20 0.49
SLC6A4 P31645 4/20 0.49

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
Hydrochloric Acid SCHEMBL16197679 0.99 SIGMAR1 (0.66) SIGMAR1CCR3HTR2AHTR2CCARM1
SCHEMBL16208337 0.82 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2C
SCHEMBL16208531 0.80 SIGMAR1 (1.00) SIGMAR1
SCHEMBL16208335 0.79 HTR2A (0.66) SIGMAR1HTR2AHTR2CHTR1A
SCHEMBL16197437 0.79 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2CHTR1A
SCHEMBL16208332 0.79 SIGMAR1 (0.65) SIGMAR1HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL17583768 0.79 SIGMAR1 (0.98) SIGMAR1
Hydrochloric Acid SCHEMBL16198004 0.78 SIGMAR1 (0.64) SIGMAR1HTR2AHTR2CHTR1A
Hydrochloric Acid SCHEMBL16197598 0.78 HTR2A (0.64) SIGMAR1HTR2AHTR2CHTR1A
SCHEMBL16197432 0.78 HTR1A (0.58) SIGMAR1HTR2AHTR2CHTR1A

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 168/4885CCR3 3485/4885HTR2A 25/4885

“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.