SCHEMBL5585753

SCHEMBL5585753

CN(C)CCOc1ncccc1OCCOc1nccnc1N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
SLC6A2 P23975 1/20 0.43
EPHX2 P34913 1/20 0.41
HTR7 P34969 1/20 0.39
HRH4 Q9H3N8 1/20 0.37
HTR2C P28335 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
SCHEMBL2640018 0.87 SLC6A2 (0.46) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2639856 0.86 HTR1A (0.46) HTR1ASLC6A2EPHX2
SCHEMBL2640069 0.84 CHRNB2 (0.43) HTR2C
SCHEMBL906093 0.84 HTR1A (0.41) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL4313464 0.84 HTR1A (0.46) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL6047120 0.83 HTR2C (0.42) HTR1ASLC6A2HTR7HTR2C
SCHEMBL237834 0.83 HTR2C (0.42) HTR1ASLC6A2HTR7HTR2C
SCHEMBL2639820 0.81 EPHX2 (0.44) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2639783 0.81 HTR1A (0.49) HTR1ASLC6A2EPHX2HTR2C
SCHEMBL2640109 0.81 HTR1A (0.44) HTR1ASLC6A2EPHX2HTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US claimed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP claimed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US claimed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 WO claimed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A HTR1A 3/4885SLC6A2 23/4885EPHX2 447/4885

“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.