SCHEMBL4242012

SCHEMBL4242012

COc1ccc(Cc2ccccc2N(CC2C3CCC2CN(Cc2ccccc2)C3)C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
SIGMAR1 Q99720 4/20 0.44
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
FAAH O00519 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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) ACHECHRM2CHRM3SIGMAR1S1PR1
SCHEMBL4248188 0.89 ACHE (0.42) ACHEMEN1KMT2ACHRM2CHRM3
SCHEMBL4238209 0.88 PKM (0.42) ACHEMEN1KMT2ACHRM2CHRM3
SCHEMBL4237268 0.87 MEN1 (0.42) ACHEMEN1KMT2ASIGMAR1S1PR1
SCHEMBL4242086 0.87 MEN1 (0.42) ACHEMEN1KMT2ASIGMAR1S1PR1
SCHEMBL4237318 0.83 SIGMAR1 (0.44) MEN1KMT2ASIGMAR1S1PR1S1PR5
SCHEMBL4240892 0.83 SIGMAR1 (0.42) ACHESIGMAR1
SCHEMBL4244127 0.80 KMT2A (0.45) ACHEMEN1KMT2ACHRM2CHRM3
SCHEMBL4238450 0.80 MEN1 (0.41) ACHEMEN1KMT2ASIGMAR1KDM4E
SCHEMBL4248181 0.79 ACHE (0.38) ACHEMEN1KMT2AS1PR1S1PR5

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-20090012116-A1 Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-01-08 US claimed
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 ACHE 108/4885MEN1 1950/4885KMT2A 2913/4885

“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.