SCHEMBL2311234

SCHEMBL2311234

O=C(O)[C@@H]1CC[C@]12CCc1ccc(O)cc12

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
FFAR1 O14842 1/20 0.40
OPRM1 P35372 4/20 0.40
OPRD1 P41143 4/20 0.40
OPRK1 P41145 4/20 0.40
NR1H2 P55055 4/20 0.40
NR1H3 Q13133 4/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 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
SCHEMBL2311755 1.00 KDM1A (0.44) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2312251 1.00 KDM1A (0.44) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL16473680 1.00 KDM1A (0.44) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2313020 1.00 KDM1A (0.44) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2310383 1.00 KDM1A (0.44) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2313640 0.91 FFAR1 (0.42) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2312767 0.91 FFAR1 (0.42) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2313463 0.91 FFAR1 (0.42) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2311267 0.91 FFAR1 (0.42) KDM1AFFAR1OPRM1OPRD1OPRK1
SCHEMBL2312379 0.91 FFAR1 (0.42) KDM1AFFAR1OPRM1OPRD1OPRK1

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 KDM1A 4641/4885FFAR1 32/4885OPRM1 1109/4885

“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.