SCHEMBL4889431

SCHEMBL4889431

O=C(OCC1C2CN(Cc3ccc4c(c3)OCO4)CC12)C(O)(c1ccccc1)C1CCCC1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.51
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL4876714 0.99 CHRM3 (0.51) CHRM3KMT2AMEN1ALDH1A1HTT
SCHEMBL4641579 0.83 CHRM3 (0.51) CHRM3KMT2AMEN1ALDH1A1SIGMAR1
SCHEMBL5106067 0.80 CHRM3 (0.53) CHRM3KMT2AMEN1ALDH1A1HTT
SCHEMBL4620926 0.78 CHRM3 (0.57) CHRM3HTT
SCHEMBL5948523 0.78 CHRM2 (0.54) CHRM3
SCHEMBL5948525 0.78 CHRM2 (0.54) CHRM3
SCHEMBL4179648 0.77 CHRM3 (0.53) CHRM3KMT2AMEN1ALDH1A1HTT
SCHEMBL3222150 0.77 HTT (0.53) CHRM3KMT2AMEN1ALDH1A1HTT
SCHEMBL3214986 0.77 HTT (0.53) CHRM3KMT2AMEN1ALDH1A1HTT
Hydrochloric Acid SCHEMBL9195371 0.75 CHRM3 (0.57) CHRM3KMT2AMEN1ALDH1A1SIGMAR1

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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists RANBAXY LABORATORIES LIMITED (IN) 2008-12-25 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-20080319043-A1 3,6-Disubstituted Azabicyclo (3.1.0) Hexane Derivatives as Muscarinic Receptor Antagonists CHRM3, CHRM5, CHRM2 CHRM3 1/4885KMT2A 3710/4885MEN1 1514/4885

“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.