SCHEMBL2641248

SCHEMBL2641248

O=c1c(N2CCNCC2)nccn1CCOc1cc(F)cc(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 9/20 0.42
ALDH1A1 P00352 9/20 0.42
CYP3A4 P08684 9/20 0.42
CASP1 P29466 9/20 0.42
CASP7 P55210 9/20 0.42
HIF1A Q16665 9/20 0.42
CYP1A2 P05177 8/20 0.42
CYP2C9 P11712 7/20 0.42
HSD17B10 Q99714 5/20 0.42
GLA P06280 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.41
TP53 P04637 6/20 0.38
HDAC6 Q9UBN7 1/20 0.37
CYP2C19 P33261 5/20 0.37
CYP2D6 P10635 2/20 0.37
LMNA P02545 4/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MAPK1 P28482 2/20 0.37
BLM P54132 2/20 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
SCHEMBL2640922 0.89 HTR1A (0.47) ALDH1A1HDAC6HTR2C
SCHEMBL2641162 0.89 HTR1A (0.43) ALDH1A1CYP3A4CASP1CASP7CYP1A2
SCHEMBL2641223 0.85 HTR1A (0.40) ALDH1A1CYP3A4CASP1CASP7CYP1A2
SCHEMBL2641031 0.84 EPHX2 (0.35) HTR2C
SCHEMBL2641132 0.84 HTR2C (0.47) ALDH1A1HTR2C
SCHEMBL2641109 0.83 HTR2C (0.39) USP2ALDH1A1CYP3A4CASP1CASP7
SCHEMBL2641036 0.83 HTR2C (0.35) USP2ALDH1A1CYP3A4CASP1CASP7
SCHEMBL2641359 0.83 HTR2C (0.42) HTR2C
SCHEMBL2641032 0.82 RXFP1 (0.42) MAPK1HTR2C
SCHEMBL5237755 0.81 NOS1 (0.45) HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4831966-B2 2011-12-07 JP claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US claimed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP claimed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP claimed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US claimed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 WO claimed
US-7244722-B2 Amino-substituted 1H-pyrazin-2-ones and 1H-quinoxalin-2-ones BIOVITRUM AB (SE) 2007-07-17 US disclosed
EP-1534391-B1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2007-02-14 EP disclosed
EP-1534391-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS Biovitrum AB (SE) 2005-06-01 EP disclosed
US-20040063693-A1 Compounds BIOVITRUM AB (SE) 2004-04-01 US disclosed
WO-2004009586-A1 NOVEL PIPERAZINYL-PYRAZINONE DERIVATIVES FOR THE TREATMENT OF 5-HT2A RECEPTOR-RELATED DISORDERS BIOVITRUM AB (SE) 2004-01-29 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-20040063693-A1 Compounds HTR1A, HTR1B, HTR2C USP2 4056/4885ALDH1A1 412/4885CYP3A4 238/4885

“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.