SCHEMBL16197697

SCHEMBL16197697

COc1ccc2c(c1)cc1n2CCN(CCN2CCOCC2)C1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
DCTPP1 Q9H773 1/20 0.49
NPSR1 Q6W5P4 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 3/20 0.44
MAPT P10636 1/20 0.44
KDM1A O60341 1/20 0.44
CNR2 P34972 1/20 0.43
CYP1A2 P05177 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
Fumaric Acid SCHEMBL16197824 0.90 KEAP1 (0.46) HTR2AHTR2CDCTPP1POLBALDH1A1
Fumaric Acid SCHEMBL16197823 0.90 KEAP1 (0.46) HTR2AHTR2CDCTPP1POLBALDH1A1
SCHEMBL16197432 0.80 HTR1A (0.58) HTR2AHTR2CPOLBTSHR
SCHEMBL4049250 0.80 HTR2A (0.59) HTR2AHTR2CPOLBALDH1A1SMN1; SMN2
SCHEMBL16197695 0.80 HTR2A (0.48) HTR2AHTR2CDCTPP1POLBALDH1A1
SCHEMBL4049833 0.79 HTR2A (0.58) HTR2AHTR2CPOLBALDH1A1SMN1; SMN2
SCHEMBL669395 0.77 CREBBP (0.53) NPSR1POLBALDH1A1SMN1; SMN2TSHR
SCHEMBL23927917 0.76 HTR7 (0.58) HTR2CDCTPP1NPSR1POLBALDH1A1
SCHEMBL3819288 0.74 HTR7 (0.47) HTR2AHTR2CALDH1A1TSHR
SCHEMBL13743172 0.74 HTR2C (0.56) HTR2AHTR2CPOLBALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 HTR2A 25/4885HTR2C 24/4885DCTPP1 1431/4885

“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.