SCHEMBL4648640

SCHEMBL4648640

CCCN1Cc2ccccc2CC1C(=O)NCC1C2CNCC21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MMP8 P22894 4/20 0.39
MMP3 P08254 4/20 0.39
POLB P06746 1/20 0.38
GLA P06280 1/20 0.38
NAMPT P43490 2/20 0.37
MMP9 P14780 4/20 0.36
MMP1 P03956 2/20 0.36
ADAM17 P78536 2/20 0.36
ADAM9 Q13443 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL4622160 0.83 MMP9 (0.39) TDP1ALDH1A1SMN1; SMN2NPSR1MMP8
SCHEMBL4622696 0.81 NR1D1 (0.41) MMP8MMP3POLBNAMPTMMP9
SCHEMBL4650297 0.81 TDP1 (0.47) TDP1ALDH1A1SMN1; SMN2NPSR1POLB
SCHEMBL4649150 0.80 F2R (0.36) TDP1ALDH1A1SMN1; SMN2NPSR1MMP8
SCHEMBL4912811 0.78 HDAC8 (0.49) TDP1NAMPT
SCHEMBL12191655 0.75 ACE (0.51) TDP1ALDH1A1MMP8MMP3POLB
SCHEMBL28057905 0.69 NR1D1 (0.41) MMP8MMP3POLBGLAMMP9
SCHEMBL7536950 0.68 ACE (0.49) TDP1ALDH1A1MMP8MMP3POLB
SCHEMBL7536956 0.68 ACE (0.49) TDP1ALDH1A1MMP8MMP3POLB
SCHEMBL4649542 0.68 NAMPT (0.41) MMP8MMP3POLBGLANAMPT

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 TDP1 4198/4885ALDH1A1 1099/4885SMN1; SMN2 3169/4885

“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.