SCHEMBL4622696

SCHEMBL4622696

CCCN1Cc2ccccc2CC1C(=O)OCC1C2CNCC21

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.41
POLB P06746 1/20 0.35
MMP9 P14780 6/20 0.34
MMP3 P08254 5/20 0.34
MMP8 P22894 4/20 0.34
MMP1 P03956 3/20 0.34
ADAM17 P78536 3/20 0.34
ADAM9 Q13443 3/20 0.34
NAMPT P43490 2/20 0.34

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
SCHEMBL4925547 0.83 NR1D1 (0.40) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL4648640 0.81 TDP1 (0.40) POLBMMP9MMP3MMP8MMP1
SCHEMBL28057905 0.76 NR1D1 (0.41) NR1D1POLBMMP9MMP3MMP8
SCHEMBL12191655 0.74 ACE (0.51) POLBMMP3MMP8
SCHEMBL6370245 0.72 NR1D1 (0.58) NR1D1POLBMMP9MMP3MMP8
SCHEMBL16879293 0.68 NR1D1 (0.59) NR1D1POLBMMP9MMP3MMP8
SCHEMBL6369530 0.68 NR1D1 (0.45) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL12125014 0.68 NR1D1 (0.45) NR1D1MMP9MMP3MMP1ADAM17
SCHEMBL7536950 0.67 ACE (0.49) POLBMMP9MMP3MMP8MMP1
SCHEMBL7536956 0.67 ACE (0.49) POLBMMP9MMP3MMP8MMP1

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-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US claimed
EP-1904495-A2 MUSCARINIC RECEPTOR ANTAGONISTS Ranbaxy Laboratories Limited (IN) 2008-04-02 EP claimed
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 WO claimed
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
WO-2007007281-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2007-01-18 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 (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-20080255188-A1 Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 NR1D1 774/4885POLB 3669/4885MMP9 3432/4885

“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.