SCHEMBL16197396

SCHEMBL16197396

CC(C(=O)N1CCN2c3ccccc3CC2C1)N1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 0.80
▸ HTR2C P28335 2/20 0.50
▸ HTR2A P28223 1/20 0.50
▸ ADAM10 O14672 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLD1 Q13393 4/20 0.41
▸ PLD2 O14939 3/20 0.41
▸ ATM Q13315 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR2B P41595 1/20 0.38

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 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL16197676 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL21268109 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL16197282 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL16197372 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL16197791 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL16197621 0.89 SIGMAR1 (1.00) SIGMAR1HTR2CHTR2AADAM10ERBB2
SCHEMBL16197550 0.88 SIGMAR1 (0.85) SIGMAR1ADAM10ERBB2MMP2GAA
SCHEMBL21268108 0.83 SIGMAR1 (1.00) SIGMAR1GAASMN1; SMN2KDM4EALDH1A1
SCHEMBL21268107 0.83 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 15 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
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
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 168/4885HTR2C 24/4885HTR2A 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.

Send feedback