SCHEMBL4245846

SCHEMBL4245846

CC(C)(C)c1ccc(CN(C(=O)O)c2cccc(F)c2CC2C3CCC2CN(Cc2ccccc2)C3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
NR1H4 Q96RI1 1/20 0.39
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KCNH2 Q12809 1/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
STAT3 P40763 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GRIN2B Q13224 1/20 0.36
CACNA1G O43497 1/20 0.35
PKM P14618 1/20 0.35
UBE2M P61081 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
SCHEMBL4237510 0.89 MEN1 (0.41) MEN1KMT2ASIGMAR1S1PR4S1PR1
SCHEMBL4246890 0.88 SIGMAR1 (0.43) SIGMAR1S1PR5ACHEKDM4EALDH1A1
SCHEMBL4248310 0.86 SIGMAR1 (0.40) MEN1KMT2ASIGMAR1ACHEKDM4E
SCHEMBL4237283 0.79 SIGMAR1 (0.42) MEN1KMT2ASIGMAR1NR1H4S1PR4
SCHEMBL4244829 0.77 SIGMAR1 (0.41) MEN1KMT2ASIGMAR1ACHEGRIN2B
SCHEMBL4237268 0.76 MEN1 (0.42) MEN1KMT2ASIGMAR1NR1H4S1PR4
SCHEMBL4244909 0.75 S1PR1 (0.44) MEN1KMT2ASIGMAR1S1PR4S1PR1
SCHEMBL4245844 0.75 ACHE (0.48) MEN1KMT2ASIGMAR1NR1H4KCNH2
SCHEMBL4237271 0.75 CHRM2 (0.46) MEN1KMT2ANR1H4PTGESALOX5
SCHEMBL4786764 0.71 SIGMAR1 (0.43) MEN1KMT2ASIGMAR1KDM4EALDH1A1

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 2913/4885SIGMAR1 317/4885

“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.