SCHEMBL4191012

SCHEMBL4191012

NCC1C2CCC1CN(Cc1ccccc1)C2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FUCA1 P04066 2/20 0.50
SIGMAR1 Q99720 1/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ACHE P22303 3/20 0.46
BCHE P06276 2/20 0.46
BACE1 P56817 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CCR3 P51677 1/20 0.45

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
SCHEMBL5071723 0.91 ACHE (0.52) SIGMAR1ACHEBCHEBACE1CYP1A2
SCHEMBL11413096 0.85 FUCA1 (0.60) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL16837173 0.83 FUCA1 (0.58) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL4198217 0.83 FUCA1 (0.54) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21773216 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777260 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21773211 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777835 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777836 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE
SCHEMBL21777837 0.82 FUCA1 (0.53) FUCA1SIGMAR1DRD2DRD3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 US disclosed
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US disclosed
US-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US disclosed
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
EP-1904446-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP disclosed
EP-1797040-A1 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2007-06-20 EP disclosed
WO-2007007282-A2 AZABICYCLO DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO disclosed
WO-2006035303-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 FUCA1 1256/4885SIGMAR1 317/4885DRD2 563/4885
US-20080255188-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 FUCA1 1402/4885SIGMAR1 366/4885DRD2 467/4885
US-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 FUCA1 1335/4885SIGMAR1 291/4885DRD2 417/4885

“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.