SCHEMBL5585305

SCHEMBL5585305

CN(C)CCCc1ncccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
HTR7 P34969 1/20 0.43
HTR1B P28222 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HRH1 P35367 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL73787 0.84 CYP2C9 (0.41) KDM4E
SCHEMBL5585608 0.82 ADRB2 (0.48) KDM4EHTR7HTR1BALDH1A1SMN1; SMN2
SCHEMBL5585616 0.81 KDM4E (0.47) KDM4EHTR7HTR1BALDH1A1SMN1; SMN2
SCHEMBL13696631 0.81 LOX (0.41) KDM4EHTR1BALDH1A1HRH1
SCHEMBL5586046 0.80 KDM4E (0.52) KDM4EHTR7HTR1BALDH1A1SMN1; SMN2
SCHEMBL238407 0.77 HTR7 (0.53) KDM4EHTR7HTR1BALDH1A1SMN1; SMN2
SCHEMBL21730199 0.73 LOX (0.45) KDM4EALDH1A1HSD17B10ADRB2
SCHEMBL30880777 0.73 LOX (0.45) KDM4EALDH1A1HSD17B10ADRB2
SCHEMBL5585586 0.73 HTR7 (0.69) KDM4EHTR7HTR1BALDH1A1SMN1; SMN2
SCHEMBL21730330 0.73 HTR7 (0.50) KDM4EHTR7HTR1BALDH1A1SMN1; 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 KDM4E 3125/4885HTR7 15/4885HTR1B 4/4885

“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.