SCHEMBL3124254

SCHEMBL3124254

CN1CCC[C@H]1COc1ncccc1OCCO

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 4/20 0.70
CHRNA3 P32297 4/20 0.70
CHRNB1 P11230 2/20 0.62
CHRNB2 P17787 2/20 0.62
CHRNA4 P43681 2/20 0.62
CHRNB3 Q05901 2/20 0.62
CHRNA1 P02708 1/20 0.54
CHRNA7 P36544 1/20 0.54

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
SCHEMBL6181645 1.00 CHRNB4 (0.70) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL3123997 0.91 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8437647 0.81 CHRNB4 (0.97) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL7368969 0.77 CHRNB4 (1.00) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL30881547 0.77 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL8437748 0.76 CHRNB4 (0.97) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL906007 0.76 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL7055867 0.76 CHRNB4 (0.53) CHRNB4CHRNA3CHRNB1CHRNB2CHRNA4
SCHEMBL5585295 0.75 KDM4E (0.52) CHRNB2CHRNA4
SCHEMBL3114012 0.74 LRRK2 (0.47) CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513831-B1 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB PUBL (SE) 2010-01-06 EP disclosed
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 CHRNB4 115/4885CHRNA3 182/4885CHRNB1 157/4885

“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.