SCHEMBL4925547

SCHEMBL4925547

CCCN1Cc2ccccc2CC1C(=O)OCC1C2CN(Cc3ccccc3)CC12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1D1 P20393 4/20 0.40
ACE P12821 5/20 0.37
BCHE P06276 2/20 0.37
ACHE P22303 2/20 0.37
ABCB11 O95342 1/20 0.37
MMP9 P14780 2/20 0.37
MMP1 P03956 1/20 0.37
MMP3 P08254 1/20 0.37
ADAM17 P78536 1/20 0.37
ADAM9 Q13443 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NAMPT P43490 1/20 0.37
F10 P00742 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4622696 0.83 NR1D1 (0.41) NR1D1MMP9MMP1MMP3ADAM17
SCHEMBL4622160 0.82 MMP9 (0.39) ACEMMP9MMP1MMP3ADAM17
SCHEMBL4649542 0.75 NAMPT (0.41) MMP9MMP1MMP3ADAM17ADAM9
SCHEMBL4650285 0.74 KMT2A (0.43) BCHEACHESIGMAR1
SCHEMBL12191655 0.73 ACE (0.51) ACEMMP3
SCHEMBL28057905 0.72 NR1D1 (0.41) NR1D1ACEMMP9MMP1MMP3
SCHEMBL19971615 0.70 BCHE (0.55) BCHEACHE
SCHEMBL19971616 0.70 BCHE (0.55) BCHEACHE
SCHEMBL19971611 0.70 BCHE (0.51) BCHEACHE
SCHEMBL19971612 0.70 BCHE (0.51) BCHEACHE

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 2 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
US-20080255188-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-10-16 US 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 774/4885ACE 328/4885BCHE 273/4885

“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.