SCHEMBL5585586

SCHEMBL5585586

CN(C)CCOc1ccccc1OCCO

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.69
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 5/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
HTR1B P28222 3/20 0.59
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
DRD2 P14416 1/20 0.56
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
HRH1 P35367 1/20 0.49
LTA4H P09960 1/20 0.49

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
SCHEMBL29510942 0.83 ALDH1A1 (0.61) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL238824 0.83 ALDH1A1 (0.61) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL2459518 0.82 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL30862623 0.82 HTR7 (0.77) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL2456684 0.82 HTR7 (0.77) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL12634482 0.82 DRD2 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL238407 0.82 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL7309445 0.82 ADRB2 (0.55) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL29904797 0.81 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2HTR1B
SCHEMBL7821244 0.81 LMNA (0.62) ALDH1A1KDM4ESMN1; SMN2

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 4 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 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 HTR7 15/4885ALDH1A1 445/4885KDM4E 3125/4885

“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.