SCHEMBL3138352

SCHEMBL3138352

Clc1nccnc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.59
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57
HTT P42858 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
NTSR1 P30989 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MCHR1 Q99705 1/20 0.55
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
DRD4 P21917 1/20 0.54
BACE1 P56817 2/20 0.54
BCHE P06276 1/20 0.54
RAB9A P51151 2/20 0.53
RXFP1 Q9HBX9 2/20 0.53
NOD2 Q9HC29 1/20 0.53

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
SCHEMBL16007611 0.85 KDM4E (0.56) ACHEKDM4EGAAHRH3HTT
SCHEMBL19086771 0.83 KDM4E (0.67) ACHEKDM4EGAAHRH3HTT
SCHEMBL30007165 0.83 KDM4E (0.64) ACHEKDM4EGAAHRH3KMT2A
SCHEMBL27092763 0.83 KDM4E (0.64) ACHEKDM4EGAAHRH3KMT2A
SCHEMBL6160260 0.82 HRH3 (0.61) ACHEKDM4EGAAHRH3HTT
SCHEMBL13633473 0.81 HTR1A (0.54) HTR1ADRD2
SCHEMBL16007609 0.81 KDM4E (0.54) ACHEKDM4EGAAHRH3HTT
SCHEMBL5432812 0.80 ACHE (0.69) ACHEKDM4EGAAHRH3DRD2
SCHEMBL13003294 0.80 HRH3 (0.56) ACHEKDM4EGAAHRH3HTT
SCHEMBL1198448 0.79 HRH3 (0.53) ACHEKDM4EGAAHRH3HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013202-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-06-16 EP disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2010-04-29 US disclosed
EP-1966191-B1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2010-03-17 EP disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
EP-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
EP-2091942-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-26 EP disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 US disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 WO disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 WO disclosed
WO-2007122173-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-01 WO disclosed
WO-2007071639-A1 SUBSTITUTED PYRAZINONE DERIVATIVES AS ALPHA2C-ADRENORECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2007-06-28 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 (3 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 ACHE 54/4885KDM4E 3069/4885GAA 1762/4885
US-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 ACHE 50/4885KDM4E 3045/4885GAA 1866/4885
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A ACHE 174/4885KDM4E 3808/4885GAA 2584/4885

“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.