SCHEMBL3016098

SCHEMBL3016098

C[C@]1(C(=O)O)CC[C@H](OCC2CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.45
SLC1A3 P43003 4/20 0.35
SLC1A2 P43004 4/20 0.35
SLC1A1 P43005 4/20 0.35
EPHX2 P34913 1/20 0.33
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL3012011 1.00 FFAR3 (0.45) FFAR3SLC1A3SLC1A2SLC1A1EPHX2
SCHEMBL602565 0.81 FFAR3 (0.48) FFAR3
SCHEMBL602564 0.81 FFAR3 (0.48) FFAR3
SCHEMBL600510 0.79 FFAR3 (0.45) FFAR3EPHX2
SCHEMBL600536 0.79 FFAR3 (0.45) FFAR3EPHX2
SCHEMBL600509 0.79 FFAR3 (0.45) FFAR3EPHX2
SCHEMBL12852834 0.77 FFAR3 (0.43) FFAR3
SCHEMBL3017120 0.77 FFAR3 (0.43) FFAR3
SCHEMBL13213310 0.75 FFAR3 (0.50) FFAR3SLC1A3SLC1A2SLC1A1
SCHEMBL600836 0.75 FFAR3 (0.54) FFAR3EPHX2

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 19 patents. 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-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-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-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
EP-2194983-A1 COMPOUNDS WHICH HAVE ACTIVITY AT M1 RECEPTOR AND THEIR USES IN MEDICINE Glaxo Group Limited (GB) 2010-06-16 EP 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
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 FFAR3 303/4885SLC1A3 481/4885SLC1A2 170/4885
US-20100204272-A1 Compounds which have activity at M1 receptor and their uses in medicine CHRM1, CHRM2, CHRM5 FFAR3 303/4885SLC1A3 481/4885SLC1A2 170/4885
US-20120316196-A1 Compounds Which Have Activity at M1 Receptor and Their Uses in Medicine CHRM1, CHRM2, CHRM5 FFAR3 303/4885SLC1A3 481/4885SLC1A2 170/4885

“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.