SCHEMBL4889459

SCHEMBL4889459

O=C(Cc1cccc(C2CCCC2)c1O)OCC1C2CN(Cc3ccc4c(c3)OCO4)CC12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
KDM4E B2RXH2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 6/20 0.40
SLC18A3 Q16572 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4876724 0.99 KMT2A (0.43) ALDH1A1KMT2AMEN1KDM4ESIGMAR1
SCHEMBL4179654 0.78 BCHE (0.38) KMT2AMEN1SIGMAR1
SCHEMBL3217075 0.77 BCHE (0.37) SIGMAR1
SCHEMBL3205175 0.77 BCHE (0.37) SIGMAR1
SCHEMBL4884661 0.77 SIGMAR1 (0.33) SIGMAR1
SCHEMBL4193590 0.76 DRD2 (0.39) ALDH1A1KMT2AMEN1KDM4EMCHR1
SCHEMBL4887368 0.76 CHRM2 (0.33)
SCHEMBL4889431 0.72 CHRM3 (0.51) ALDH1A1KMT2AMEN1KDM4ESIGMAR1
SCHEMBL4885818 0.72 NAAA (0.36) ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL4876714 0.72 CHRM3 (0.51) ALDH1A1KMT2AMEN1SIGMAR1LMNA

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 ALDH1A1 1047/4885KMT2A 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.