SCHEMBL4880361

SCHEMBL4880361

COC(=O)C1=CCC2CCC1N2

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.68
CHRNA4 P43681 3/20 0.68
CHRNA7 P36544 2/20 0.68
ALDH1A1 P00352 1/20 0.49
KCNH2 Q12809 1/20 0.45
SLC6A3 Q01959 6/20 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
SCHEMBL16592137 1.00 CHRNB2 (0.68) CHRNB2CHRNA4CHRNA7ALDH1A1KCNH2
SCHEMBL9041158 0.83 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL9849965 0.79 CHRNA7 (0.71) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL25658 0.79 CHRNA7 (0.71) CHRNB2CHRNA4CHRNA7ALDH1A1
Hydrochloric Acid SCHEMBL6154466 0.77 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL2340043 0.67 KCNH2 (0.49) ALDH1A1KCNH2
SCHEMBL160708 0.66 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL21307962 0.66 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL29484643 0.66 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7ALDH1A1
SCHEMBL19807403 0.64 KCNH2 (0.46) CHRNB2CHRNA4ALDH1A1KCNH2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIAN PHARMACEUTICALS, INC. (US) 2008-01-10 US disclosed
US-7268232-B2 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. (US) 2007-09-11 US disclosed
WO-2007092391-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2007-08-16 WO disclosed
EP-1756101-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME Acadia Pharmaceuticals Inc. (US) 2007-02-28 EP disclosed
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same ACADIA PHARMACEUTICALS INC. 2007-01-04 US disclosed
US-20060014739-A1 Androgen receptor modulators and method of treating disease using the same ACADIA PHARMACEUTICALS INC. 2006-01-19 US disclosed
WO-2005115361-A2 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME ACADIA PHARMACEUTICALS INC. (US) 2005-12-08 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 (3 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-20060014739-A1 Androgen receptor modulators and method of treating disease using the same NR5A1, AR, CYP17A1 CHRNB2 2541/4885CHRNA4 3344/4885CHRNA7 2707/4885
US-20070004679-A1 Androgen receptor modulators and methods of treating disease using the same NR5A1, AR, ESRRA CHRNB2 2544/4885CHRNA4 3376/4885CHRNA7 2855/4885
US-20080009489-A1 ANDROGEN RECEPTOR MODULATORS AND METHOD OF TREATING DISEASE USING THE SAME NR5A1, AR, CYP17A1 CHRNB2 2541/4885CHRNA4 3344/4885CHRNA7 2707/4885

“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.