SCHEMBL13404374

SCHEMBL13404374

O=c1[nH]ccnc1N1CCC(c2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IP6K1 Q92551 1/20 0.50
AOC3 Q16853 1/20 0.45
SLC6A3 Q01959 1/20 0.45
NR3C1 P04150 5/20 0.43
NR3C2 P08235 2/20 0.43
PDE10A Q9Y233 2/20 0.42
DHFR P00374 1/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
MLYCD O95822 1/20 0.41
HTR2B P41595 2/20 0.40
GRM2 Q14416 3/20 0.39
SLC18A3 Q16572 1/20 0.39

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
SCHEMBL13404382 0.74 CHIA (0.53) SLC6A3SLC18A3
SCHEMBL30719404 0.74 JAK2 (0.53) IP6K1
SCHEMBL15135220 0.72 HTR2C (0.45)
SCHEMBL13404388 0.72 HTR1A (0.51) SLC6A3
SCHEMBL17275249 0.71 HTR2B (0.56) PDE10AHTR2B
SCHEMBL14858605 0.71 LMNA (0.47)
SCHEMBL5237091 0.71 HRH4 (0.47)
SCHEMBL13404470 0.71 GRM2 (0.50) AOC3SLC6A3NR3C1GRM2
SCHEMBL27396701 0.70 ALOX15 (0.61) GRM2SLC18A3
SCHEMBL5797313 0.70 MAPT (0.67)

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 IP6K1 3932/4885AOC3 485/4885SLC6A3 46/4885

“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.