SCHEMBL962786

SCHEMBL962786

CCOC(=O)/C=C/c1c(C2CC2)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
CNR2 P34972 2/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
ELANE P08246 1/20 0.34
MTNR1A P48039 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CHRM4 P08173 2/20 0.33
SLC22A12 Q96S37 2/20 0.33
PDE5A O76074 1/20 0.32
CHRM2 P08172 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL962300 0.87 LMNA (0.38) LMNACCNCCDK8MTNR1ASLC22A12
SCHEMBL966633 0.87 PARP1 (0.34) MTNR1AGAASLC22A12ALDH1A1
SCHEMBL966634 0.87 PARP1 (0.34) MTNR1AGAASLC22A12ALDH1A1
SCHEMBL966214 0.84 LMNA (0.36) LMNACCNCCDK8MTNR1ASLC22A12
SCHEMBL964300 0.83 KDM4E (0.38) LMNACCNCCDK8ELANEMTNR1A
SCHEMBL962821 0.81 HDAC3 (0.35) CNR2MTNR1AGAATSHR
SCHEMBL962820 0.81 HDAC3 (0.35) CNR2MTNR1AGAATSHR
SCHEMBL965084 0.81 CDC7 (0.36) MTNR1ASLC22A12
SCHEMBL965448 0.80 PPARG (0.40) CNR2MTNR1A
SCHEMBL965449 0.80 PPARG (0.40) CNR2MTNR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US 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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG LMNA 3461/4885CNR2 290/4885CCNC 3591/4885

“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.