SCHEMBL3020102

SCHEMBL3020102

CC(C)COC(=O)C1(C)CCC(=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
PTGS1 P23219 1/20 0.35
APEX1 P27695 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
HTT P42858 1/20 0.32
TP53 P04637 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
SCHEMBL14961961 0.87 TSHR (0.44) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL18768458 0.83 TSHR (0.36) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL1440918 0.82 TSHR (0.40) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL19766 0.80 POLB (0.42) TSHRMEN1KMT2AL3MBTL1MAPT
SCHEMBL1439601 0.80 TSHR (0.39) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL18819444 0.77 ALDH1A1 (0.38) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL24763400 0.76 OPRM1 (0.37) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL27433295 0.75 TSHR (0.35) TSHRALDH1A1TDP1MEN1KMT2A
SCHEMBL3880676 0.74 FFAR3 (0.37) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL20625157 0.73 KCNA3 (0.30)

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-8426443-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2013-04-23 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine GLAXO GROUP LIMITED (GB) 2012-12-13 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8299257-B2 Compounds which have activity at M1receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-30 US disclosed
US-8278328-B2 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2012-10-02 US disclosed
US-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine GLAXO GROUP LIMITED (GB) 2010-08-19 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine Glaxo Group Limited a corporation 2010-08-12 US disclosed
EP-2194982-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037296-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO disclosed
WO-2009037294-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE GLAXO GROUP LIMITED (GB) 2009-03-26 WO 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 (3 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-20100210687-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 TSHR 263/4885ALDH1A1 1041/4885TDP1 2927/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 TSHR 263/4885ALDH1A1 1041/4885TDP1 2927/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 TSHR 263/4885ALDH1A1 1041/4885TDP1 2927/4885

“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.