SCHEMBL6399059

SCHEMBL6399059

O=C(O[C@@H]1CCC(F)(F)C1)[C@](O)(c1ccc2c(c1)OCO2)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 7/20 0.39
CHRM3 P20309 7/20 0.39
CHRM1 P11229 6/20 0.39
MGLL Q99685 3/20 0.38
FAAH O00519 2/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
DYRK3 O43781 1/20 0.32
PIM1 P11309 1/20 0.32
DYRK1A Q13627 1/20 0.32
DYRK2 Q92630 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL6399055 0.90 CHRM2 (0.46) CHRM2CHRM3CHRM1MGLL
SCHEMBL6402451 0.83 CHRM2 (0.46) CHRM2CHRM3CHRM1
SCHEMBL6401734 0.82 CHRM2 (0.47) CHRM2CHRM3CHRM1
SCHEMBL6400685 0.82 CHRM2 (0.45) CHRM2CHRM3CHRM1
SCHEMBL6400606 0.82 CHRM2 (0.45) CHRM2CHRM3CHRM1
SCHEMBL6401466 0.81 CHRM2 (0.57) CHRM2CHRM3CHRM1LMNA
SCHEMBL6400719 0.79 CHRM2 (0.44) CHRM2CHRM3CHRM1
SCHEMBL6400722 0.79 CHRM2 (0.43) CHRM2CHRM3CHRM1
Bromide SCHEMBL4523684 0.79 CHRM3 (0.43) CHRM2CHRM3CHRM1MGLL
SCHEMBL6399064 0.76 CHRM2 (0.42) CHRM2CHRM3CHRM1MGLLFAAH

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-6846835-B2 Treating chronic obstructive pulmonary disease, chronic bronchitis, asthma, chronic respiratory tract obstruction, fibroid lung, pulmonary emphysema or rhinitis BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-01-25 US disclosed
US-20030191316-A1 Ester derivatives MSD K.K. (JP) 2003-10-09 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-20030191316-A1 Ester derivatives CHRM3, CHRM2, CHRM1 CHRM2 2/4885CHRM3 1/4885CHRM1 3/4885

“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.