SCHEMBL311460

SCHEMBL311460

O=C(CNC(=O)C1CCN(C(=O)O)CC1)c1cccc(OC(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.53
MGLL Q99685 3/20 0.53
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
NOTUM Q6P988 1/20 0.47
CHRM4 P08173 8/20 0.47
KAT6A Q92794 1/20 0.45
EPHX2 P34913 1/20 0.45
NAMPT P43490 1/20 0.44
CCR2 P41597 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42

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
SCHEMBL311785 0.88 EPHX2 (0.52) HSD11B1MGLLCHRM2CHRM1EPHX2
SCHEMBL311627 0.84 KMT2A (0.50) HSD11B1MGLLCCR2
SCHEMBL14637350 0.83 HSD11B1 (0.69) HSD11B1MGLLNOTUMTAS1R3TAS1R1
SCHEMBL15732620 0.78 POLB (0.43) HSD11B1EPHX2
SCHEMBL15732567 0.77 GAA (0.50) HSD11B1MGLLCHRM2NOTUM
SCHEMBL15732637 0.77 NOTUM (0.45) HSD11B1NOTUMEPHX2TAS1R3TAS1R1
SCHEMBL17597825 0.75 KMT2A (0.56) HSD11B1EPHX2
SCHEMBL23014225 0.74 GPR139 (0.66) KAT6ANAMPTCCR2TAS1R3TAS1R1
SCHEMBL23014141 0.74 MTNR1A (0.60)
SCHEMBL311246 0.73 STS (0.56) HSD11B1MGLLEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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 (2 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-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 HSD11B1 4245/4885MGLL 3423/4885CHRM2 4044/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 HSD11B1 4245/4885MGLL 3423/4885CHRM2 4044/4885

“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.