SCHEMBL13404382

SCHEMBL13404382

CN(CCc1ccccc1)C1CCN(c2ncc[nH]c2=O)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHIA Q9BZP6 8/20 0.53
CYP2D6 P10635 1/20 0.46
CHRM1 P11229 1/20 0.46
HRH1 P35367 1/20 0.46
CHIT1 Q13231 7/20 0.43
GRIN2B Q13224 4/20 0.41
GRIN1 Q05586 2/20 0.41
SIGMAR1 Q99720 1/20 0.40
SLC6A3 Q01959 3/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC18A3 Q16572 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2C P18825 1/20 0.37

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
SCHEMBL13404488 0.80 CHIA (0.51) CHIACYP2D6CHRM1HRH1CHIT1
SCHEMBL13404388 0.76 HTR1A (0.51) CYP2D6SIGMAR1SLC6A3CHRM2
SCHEMBL13404374 0.74 IP6K1 (0.50) SLC6A3SLC18A3
SCHEMBL13404423 0.73 CHIA (0.44) CHIACYP2D6CHRM1HRH1CHIT1
SCHEMBL2056178 0.72 GRIN2B (0.58) CHIACYP2D6CHRM1HRH1GRIN2B
Hydrochloric Acid SCHEMBL7471105 0.72 HTR2B (0.52) CHIA
SCHEMBL1967143 0.72 GRIN2B (0.63) CHIAGRIN2BGRIN1SIGMAR1SLC18A3
SCHEMBL17284222 0.71 CHIA (0.58) CHIACYP2D6CHRM1HRH1CHIT1
SCHEMBL22878119 0.71 CHIA (0.55) CHIACYP2D6CHRM1HRH1GRIN2B
Hydrochloric Acid SCHEMBL7472449 0.71 CHIA (0.52) CHIACYP2D6CHRM1HRH1GRIN2B

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 CHIA 4045/4885CYP2D6 170/4885CHRM1 31/4885

“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.