SCHEMBL1668272

SCHEMBL1668272

O=C(OC1(c2ccccc2)NCCc2ccccc21)C(O)C(O)C(=O)OC1(c2ccccc2)NCCc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.38
EDNRA P25101 1/20 0.38
HDAC9 Q9UKV0 1/20 0.37
KIF11 P52732 5/20 0.36
MEN1 O00255 4/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL1477982 1.00 EDNRB (0.38) EDNRBEDNRAHDAC9KIF11MEN1
SCHEMBL28476847 0.89 KIF11 (0.37) EDNRBEDNRAHDAC9KIF11
SCHEMBL28476843 0.89 KIF11 (0.37) EDNRBEDNRAHDAC9KIF11
SCHEMBL1695321 0.86 HDAC9 (0.40) EDNRBEDNRAHDAC9KIF11MEN1
SCHEMBL4630185 0.86 HDAC9 (0.40) EDNRBEDNRAHDAC9KIF11MEN1
SCHEMBL4879031 0.81 KIF11 (0.39) EDNRBEDNRAHDAC9KIF11MEN1
SCHEMBL5873449 0.76 HTR2A (0.34) EDNRBEDNRAKIF11
SCHEMBL19644421 0.70 MEN1 (0.40) MEN1
SCHEMBL27956103 0.70 HDAC9 (0.43) EDNRBEDNRAHDAC9KIF11MEN1
SCHEMBL3732088 0.70 HDAC9 (0.43) EDNRBEDNRAHDAC9KIF11MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011048607-A1 PROCESSES FOR THE PREPARATION OF SOLIFENACIN OR A SALT THEREOF CADILA HEALTHCARE LIMITED (IN) 2011-04-28 WO disclosed
CN-101501001-A Processes for optical resolution of 1-phenyl-1,2,3,4-tetrahydroisoquinoline TEVA PHARMA (IL) 2009-08-05 CN disclosed
US-20080091023-A1 Processes for optical resolution of 1-phenyl-1,2,3,4-tetrahydroisoquinoline TEVA PHARMACEUTICALS USA, INC. 2008-04-17 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-20080091023-A1 Processes for optical resolution of 1-phenyl-1,2,3,4-tetrahydroisoquinoline SUCNR1, OPRL1, CHRM1 EDNRB 1616/4885EDNRA 978/4885HDAC9 4290/4885

“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.