SCHEMBL4487102

SCHEMBL4487102

O=C(CCc1ccc2c(c1)OCO2)N1C[C@@H]2[C@@H](CNC(=O)C(O)(c3ccccc3)C3CCCC3)[C@@H]2C1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.49
TRPM8 Q7Z2W7 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL4472307 0.92 CHRM3 (0.50) CHRM3ALDH1A1
SCHEMBL4619938 0.88 CHRM3 (0.49) CHRM3KDM4ETDP1
SCHEMBL4641579 0.86 CHRM3 (0.51) CHRM3MEN1ALDH1A1LMNATSHR
SCHEMBL4470980 0.80 CHRM3 (0.49) CHRM3
SCHEMBL4476822 0.77 CHRM3 (0.43) CHRM3
SCHEMBL4619380 0.76 CHRM3 (0.55) CHRM3
SCHEMBL4478998 0.76 CHRM3 (0.46) CHRM3
SCHEMBL4480471 0.76 KEAP1 (0.47) CHRM3
SCHEMBL5948391 0.75 CHRM3 (0.50) CHRM3
SCHEMBL5121123 0.75 CHRM3 (0.59) CHRM3

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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 US claimed
US-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2009-07-09 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-20090176856-A1 MUSCARINIC RECEPTOR ANTAGONISTS CHRM3, CHRM5, CHRM2 CHRM3 1/4885TRPM8 110/4885TRPV1 159/4885

“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.