SCHEMBL5585330

SCHEMBL5585330

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCCCCN(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.41
HTR2A P28223 7/20 0.41
HTR2B P41595 5/20 0.41
KCNH2 Q12809 1/20 0.37
HTR1B P28222 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HRH4 Q9H3N8 1/20 0.33
HTR1A P08908 1/20 0.32
SLC6A2 P23975 1/20 0.32
BRD1 O95696 1/20 0.31
BRPF1 P55201 1/20 0.31

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
SCHEMBL906031 0.97 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2HTR1B
SCHEMBL6047120 0.94 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL237834 0.94 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL906123 0.91 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2HRH4
SCHEMBL906098 0.88 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1B
SCHEMBL906119 0.88 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL905836 0.88 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL906122 0.88 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL237951 0.87 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A
SCHEMBL2639684 0.87 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2HTR1A

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
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US claimed
US-7226925-B2 Compounds, their use and preparation BIOVITRUM AB (SE) 2007-06-05 US disclosed
EP-1513831-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Biovitrum AB (SE) 2005-03-16 EP disclosed
US-20040029888-A1 Novel compounds, their use and preparation PROXIMAGEN NEUROSCIENCE PLC (GB) 2004-02-12 US disclosed
WO-2004000830-A1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2003-12-31 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-20040029888-A1 Novel compounds, their use and preparation TPH1, TPH2, HTR1A HTR2C 7/4885HTR2A 14/4885HTR2B 13/4885

“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.