SCHEMBL2641047

SCHEMBL2641047

O=c1c(N2CCNCC2)nccn1CCOc1ccc(Cl)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.42
HTR6 P50406 1/20 0.38
HTR2A P28223 1/20 0.38
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
EIF4EBP1 Q13541 4/20 0.37
S1PR4 O95977 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
ADRB2 P07550 1/20 0.35
NCF1 P14598 1/20 0.35

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
SCHEMBL2641359 0.90 HTR2C (0.42) HTR2CHTR6HTR2A
SCHEMBL2640959 0.87 HTR2C (0.38) HTR2CHTR2A
SCHEMBL2641109 0.86 HTR2C (0.39) HTR2CHTR2A
SCHEMBL2641194 0.85 S1PR4 (0.42) HTR2CHTR3EHTR3BHTR3AHTR3D
SCHEMBL2641252 0.83 HTR2C (0.37) HTR2CHTR2A
SCHEMBL2641369 0.82 HTR2C (0.45) HTR2CHTR2A
SCHEMBL2641292 0.81 HTR2C (0.41) HTR2CHTR2A
SCHEMBL2641185 0.81 HTR2C (0.51) HTR2CHTR6HTR2A
SCHEMBL2639270 0.81 HTR2C (0.39) HTR2CHTR2A
SCHEMBL2641036 0.80 HTR2C (0.35) HTR2CGPR139

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 HTR2C 3/4885HTR6 13/4885HTR2A 5/4885

“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.