SCHEMBL5954558

SCHEMBL5954558

CN(C)CCC1(c2cccc3ccccc23)Cc2ccccc2C(=O)O1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 18/20 0.61
CYP2D6 P10635 1/20 0.46
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42

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
Hydrochloric Acid SCHEMBL5954173 0.99 UTS2R (0.64) UTS2RCYP2D6
SCHEMBL5954208 0.84 UTS2R (0.61) UTS2R
SCHEMBL5954100 0.83 UTS2R (0.71) UTS2R
Hydrochloric Acid SCHEMBL5954089 0.83 UTS2R (0.64) UTS2R
Hydrochloric Acid SCHEMBL5954092 0.82 UTS2R (0.71) UTS2R
SCHEMBL5953970 0.80 UTS2R (0.81) UTS2R
Hydrochloric Acid SCHEMBL5954192 0.79 UTS2R (0.84) UTS2R
SCHEMBL5954658 0.79 UTS2R (0.77) UTS2R
Hydrochloric Acid SCHEMBL5954566 0.78 UTS2R (0.78) UTS2R
SCHEMBL5954681 0.77 UTS2R (0.80) UTS2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060058374-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS INC. 2006-03-16 US claimed
US-20040077529-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS, INC. 2004-04-22 US claimed
WO-2003104216-A1 UROTENSIN II RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2003-12-18 WO claimed
US-20060058374-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS INC. 2006-03-16 US disclosed
US-20040077529-A1 Urotensin II receptor agents ACADIA PHARMACEUTICALS, INC. 2004-04-22 US disclosed
WO-2003104216-A1 UROTENSIN II RECEPTOR MODULATORS ACADIA PHARMACEUTICALS INC. (US) 2003-12-18 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 (2 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-20040077529-A1 Urotensin II receptor agents UTS2R, PLAUR, GPR17 UTS2R 1/4885CYP2D6 1628/4885ADRA1D 778/4885
US-20060058374-A1 Urotensin II receptor agents UTS2R, PLAUR, SCTR UTS2R 1/4885CYP2D6 1611/4885ADRA1D 991/4885

“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.