SCHEMBL4649150

SCHEMBL4649150

CCCN1Cc2ccccc2CC1C(=O)NCC1C2CN(C(=O)N3CCOCC3)CC12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.36
MMP8 P22894 2/20 0.36
MMP3 P08254 1/20 0.36
PRMT5 O14744 5/20 0.35
AKR1C3 P42330 3/20 0.35
NAMPT P43490 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
KIF11 P52732 1/20 0.35
HTR1A P08908 2/20 0.34
HTR7 P34969 2/20 0.34
OPRM1 P35372 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 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
SCHEMBL4649586 0.84 GLA (0.41) MMP8MMP3PRMT5AKR1C3WDR77
SCHEMBL4649139 0.81 NAMPT (0.43) PRMT5NAMPTWDR77TDP1
SCHEMBL4648640 0.80 TDP1 (0.40) MMP8MMP3NAMPTTDP1ALDH1A1
SCHEMBL4622160 0.79 MMP9 (0.39) MMP8MMP3NAMPTTDP1ALDH1A1
SCHEMBL4649495 0.76 PRMT5 (0.46) PRMT5WDR77OPRM1
SCHEMBL12191655 0.68 ACE (0.51) MMP8MMP3TDP1ALDH1A1
SCHEMBL5804077 0.67 HTR1A (0.52) HTR1A
SCHEMBL4622696 0.64 NR1D1 (0.41) MMP8MMP3NAMPT
SCHEMBL4650250 0.63 CFTR (0.43) MMP8MMP3OPRM1TDP1ALDH1A1
SCHEMBL4649542 0.63 NAMPT (0.41) MMP8MMP3NAMPT

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 F2R 205/4885MMP8 3552/4885MMP3 3787/4885

“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.