SCHEMBL4237268

SCHEMBL4237268

CC(C)(C)c1ccc(Cc2ccccc2N(CC2C3CCC2CN(Cc2ccccc2)C3)C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
S1PR1 P21453 4/20 0.39
S1PR5 Q9H228 4/20 0.39
S1PR4 O95977 3/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
S1PR3 Q99500 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
KCNH2 Q12809 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ACHE P22303 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
SCHEMBL4249836 0.91 GRIN2B (0.40) S1PR1S1PR5SIGMAR1ACHE
SCHEMBL4248188 0.89 ACHE (0.42) MEN1KMT2AS1PR1S1PR5KDM4E
SCHEMBL4238209 0.88 PKM (0.42) MEN1KMT2AS1PR1S1PR5SIGMAR1
SCHEMBL4242012 0.87 ACHE (0.45) MEN1KMT2AS1PR1S1PR5SIGMAR1
SCHEMBL4244909 0.86 S1PR1 (0.44) MEN1KMT2AS1PR1S1PR5S1PR4
SCHEMBL4237318 0.83 SIGMAR1 (0.44) MEN1KMT2AS1PR1S1PR5SIGMAR1
SCHEMBL4240892 0.83 SIGMAR1 (0.42) SIGMAR1DRD2ACHE
SCHEMBL4242086 0.81 MEN1 (0.42) MEN1KMT2AS1PR1S1PR5SIGMAR1
SCHEMBL4248181 0.79 ACHE (0.38) MEN1KMT2AS1PR1S1PR5ACHE
SCHEMBL4244048 0.78 GRIN2B (0.37) S1PR1S1PR5SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 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-20090012116-A1 Muscarinic Receptor Antagonists CHRM3, CHRM2, CHRM5 MEN1 1950/4885KMT2A 2913/4885S1PR1 306/4885

“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.