SCHEMBL4193590

SCHEMBL4193590

O=C(Cc1cccc(C2CCCC2)c1O)OC1C2CCC1CN(CCc1ccc3c(c1)OCO3)C2

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
HTR2A P28223 2/20 0.39
DRD3 P35462 2/20 0.39
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CALM1 P0DP23 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
MCHR1 Q99705 5/20 0.36
SSTR3 P32745 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL4184504 0.79 OPRM1 (0.33)
SCHEMBL4190993 0.79 GRIN2B (0.39) DRD2DRD3MEN1KMT2AALDH1A1
SCHEMBL4193805 0.78 GRIN2B (0.38) DRD2DRD3KDM4EMEN1KMT2A
SCHEMBL4889459 0.76 ALDH1A1 (0.43) KDM4EMEN1KMT2AMCHR1ALDH1A1
SCHEMBL4876724 0.75 KMT2A (0.43) KDM4EMEN1KMT2AMCHR1ALDH1A1
SCHEMBL4977956 0.74 OPRM1 (0.34)
SCHEMBL4985782 0.74 OPRM1 (0.33) KDM4EALDH1A1
SCHEMBL4193585 0.73 CHRM3 (0.51) DRD2HTR2ACHRM5CHRM1CHRM3
SCHEMBL4186784 0.73 NAAA (0.39) KDM4EALDH1A1
SCHEMBL4180019 0.71 POLB (0.33)

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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-04-23 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-20090105221-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 DRD2 417/4885HTR2A 299/4885DRD3 695/4885

“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.