SCHEMBL2311267

SCHEMBL2311267

O=C(O)[C@H]1CC[C@@]12CCCc1ccc(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
NR1H2 P55055 3/20 0.41
NR1H3 Q13133 3/20 0.41
SIGMAR1 Q99720 4/20 0.40
SLC22A1 O15245 3/20 0.40
CYP2D6 P10635 2/20 0.40
MAPT P10636 1/20 0.40
BLM P54132 1/20 0.40
KDM1A O60341 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
GRIN2D O15399 3/20 0.39
GRIN3B O60391 3/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN3A Q8TCU5 3/20 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
SCHEMBL2313640 1.00 FFAR1 (0.42) FFAR1NR1H2NR1H3SIGMAR1SLC22A1
SCHEMBL2313463 1.00 FFAR1 (0.42) FFAR1NR1H2NR1H3SIGMAR1SLC22A1
SCHEMBL2312767 1.00 FFAR1 (0.42) FFAR1NR1H2NR1H3SIGMAR1SLC22A1
SCHEMBL2312379 1.00 FFAR1 (0.42) FFAR1NR1H2NR1H3SIGMAR1SLC22A1
SCHEMBL2311234 0.91 KDM1A (0.44) FFAR1NR1H2NR1H3CYP2D6MAPT
SCHEMBL2312251 0.91 KDM1A (0.44) FFAR1NR1H2NR1H3CYP2D6MAPT
SCHEMBL2313020 0.91 KDM1A (0.44) FFAR1NR1H2NR1H3CYP2D6MAPT
SCHEMBL16473680 0.91 KDM1A (0.44) FFAR1NR1H2NR1H3CYP2D6MAPT
SCHEMBL2311755 0.91 KDM1A (0.44) FFAR1NR1H2NR1H3CYP2D6MAPT
SCHEMBL2310383 0.91 KDM1A (0.44) FFAR1NR1H2NR1H3CYP2D6MAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
US-8748462-B2 Spirocyclic GPR40 modulators AMGEN INC. (US) 2014-06-10 US disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
EP-2358656-B1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC (US) 2014-01-01 EP disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
US-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2011-08-04 US disclosed
WO-2010045258-A2 SPIROCYCLIC GPR40 MODULATORS AMGEN INC. (US) 2010-04-22 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 (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-20110190330-A1 SPIROCYCLIC GPR40 MODULATORS GPR119, GPR55, GPR65 FFAR1 32/4885NR1H2 31/4885NR1H3 64/4885

“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.