SCHEMBL4242086

SCHEMBL4242086

COc1ccc(Cc2ccccc2N(CC2C3CCC2CN(Cc2ccccc2)C3)C(=O)O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
P4HB P07237 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 1/20 0.41
ACHE P22303 5/20 0.40
BCHE P06276 3/20 0.40
LMNA P02545 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
POLB P06746 1/20 0.39
CCR5 P51681 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL4242012 0.87 ACHE (0.45) MEN1KMT2AS1PR1S1PR5ACHE
SCHEMBL4250520 0.85 MEN1 (0.44) MEN1KMT2ANPC1P4HBRAB9A
SCHEMBL4249836 0.85 GRIN2B (0.40) S1PR1S1PR5ACHEBCHESIGMAR1
SCHEMBL4248188 0.84 ACHE (0.42) MEN1KMT2AS1PR1S1PR5ACHE
SCHEMBL4237318 0.83 SIGMAR1 (0.44) MEN1KMT2ANPC1S1PR1S1PR5
SCHEMBL4238209 0.82 PKM (0.42) MEN1KMT2ANPC1S1PR1S1PR5
SCHEMBL4238450 0.82 MEN1 (0.41) MEN1KMT2AACHEBCHESIGMAR1
SCHEMBL4237268 0.81 MEN1 (0.42) MEN1KMT2ARAB9AS1PR1S1PR5
SCHEMBL4240892 0.81 SIGMAR1 (0.42) ACHEBCHESIGMAR1
SCHEMBL4244062 0.80 SIGMAR1 (0.48) NPC1RAB9AS1PR1S1PR5ACHE

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 2913/4885NPC1 1644/4885

“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.