SCHEMBL6399064

SCHEMBL6399064

O=C(O)[C@](OC1CCNCC1)(c1ccc2c(c1)OCO2)[C@@H]1CCC(F)(F)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.42
CHRM1 P11229 8/20 0.42
CHRM3 P20309 8/20 0.42
MGLL Q99685 3/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
MMP14 P50281 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32
FAAH O00519 2/20 0.32

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
SCHEMBL6399493 0.83 CHRM2 (0.46) CHRM2CHRM1CHRM3
SCHEMBL6401033 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3
SCHEMBL6400995 0.82 CHRM2 (0.47) CHRM2CHRM1CHRM3
SCHEMBL6399055 0.82 CHRM2 (0.46) CHRM2CHRM1CHRM3MGLL
SCHEMBL6400690 0.81 CHRM2 (0.46) CHRM2CHRM1CHRM3MEN1KMT2A
SCHEMBL6400723 0.80 CHRM2 (0.45) CHRM2CHRM1CHRM3
SCHEMBL6400725 0.79 CHRM2 (0.44) CHRM2CHRM1CHRM3
SCHEMBL4510633 0.78 CHRM2 (0.44) CHRM2CHRM1CHRM3MGLL
SCHEMBL6401300 0.78 CHRM2 (0.42) CHRM2CHRM1CHRM3
SCHEMBL6400224 0.78 CHRM2 (0.42) CHRM2CHRM1CHRM3

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 2/4885CHRM1 3/4885CHRM3 1/4885

“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.