SCHEMBL5585902

SCHEMBL5585902

C[C@@H]1CNCCN1c1nccnc1OCCOc1cccnc1OCCCCCCNNCCOCCOc1ncccc1OCCOc1nccnc1N1CCNC[C@H]1C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.36
HTR2A P28223 6/20 0.36
HTR2B P41595 4/20 0.36
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SSTR1 P30872 1/20 0.31
SSTR4 P31391 1/20 0.31
ROCK1 Q13464 2/20 0.30

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
SCHEMBL906101 0.86 HTR2C (0.40) HTR2CHTR2AHTR2BKCNH2KDM4E
SCHEMBL905836 0.86 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2SSTR1
SCHEMBL906119 0.86 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2SSTR1
SCHEMBL906122 0.86 HTR2C (0.39) HTR2CHTR2AHTR2BKCNH2SSTR1
SCHEMBL906015 0.85 HTR2C (0.40) HTR2CHTR2AHTR2BKCNH2SSTR1
SCHEMBL6182149 0.85 HTR2C (0.40) HTR2CHTR2AHTR2BKCNH2SSTR1
SCHEMBL237951 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2SSTR4
SCHEMBL905805 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2SSTR1
SCHEMBL2639684 0.83 HTR2C (0.42) HTR2CHTR2AHTR2BKCNH2SSTR4
SCHEMBL5585330 0.83 HTR2C (0.41) HTR2CHTR2AHTR2BKCNH2KDM4E

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 2 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

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.