SCHEMBL13404388

SCHEMBL13404388

O=c1[nH]ccnc1N1CCN(CCc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
ABCB1 P08183 1/20 0.48
ABCC1 P33527 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
POLB P06746 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SLC6A3 Q01959 1/20 0.45
AURKA O14965 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45

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
SCHEMBL13404372 0.80 ALDH1A1 (0.59) HTR1AMAPTLMNAALDH1A1MAPK1
SCHEMBL13404400 0.80 DRD2 (0.51) HTR1ADRD2DRD4DRD3LMNA
SCHEMBL13478981 0.77 ALOX15 (0.33) HTR1AHSD17B10TSHR
SCHEMBL13404382 0.76 CHIA (0.53) SIGMAR1SLC6A3CHRM2CYP2D6
SCHEMBL13404378 0.75 SIGMAR1 (0.49) SIGMAR1ALDH1A1HSD17B10
SCHEMBL5237091 0.74 HRH4 (0.47) POLB
SCHEMBL13306861 0.74 TSHR (0.57) MAPTALDH1A1HSD17B10ADRA2ATSHR
SCHEMBL13633429 0.73 DRD2 (0.52) HTR1ADRD2DRD3SIGMAR1LMNA
SCHEMBL13150555 0.73 ABCC1 (0.55) HTR1ADRD2ABCB1ABCC1ABCG2
SCHEMBL13404374 0.72 IP6K1 (0.50) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2091942-B1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2010-02-17 EP disclosed
WO-2008043775-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA NV (BE) 2008-04-17 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-20100105694-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 HTR1A 74/4885DRD2 34/4885ABCB1 1119/4885

“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.