SCHEMBL964989

SCHEMBL964989

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.39
LMNA P02545 2/20 0.38
PARP1 P09874 1/20 0.37
MAPT P10636 4/20 0.36
MAPK1 P28482 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
ALOX15 P16050 2/20 0.34
ENPP3 O14638 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCRTR1 O43613 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL967690 0.88 PARP1 (0.40) MTNR1APARP1CYP2C19SLC22A12ENPP3
SCHEMBL967688 0.88 PARP1 (0.40) MTNR1APARP1CYP2C19SLC22A12ENPP3
SCHEMBL962300 0.84 LMNA (0.38) MTNR1ALMNAPARP1MAPTMAPK1
SCHEMBL963804 0.83 MTNR1A (0.38) MTNR1ALMNAPARP1MAPTMAPK1
SCHEMBL962301 0.83 PARP1 (0.38) MTNR1ALMNAPARP1CYP2C19SLC22A12
SCHEMBL962302 0.83 PARP1 (0.38) MTNR1ALMNAPARP1CYP2C19SLC22A12
SCHEMBL963473 0.80 MTNR1A (0.35) MTNR1APARP1SLC22A12ENPP3L3MBTL1
SCHEMBL963474 0.80 MTNR1A (0.35) MTNR1APARP1SLC22A12ENPP3L3MBTL1
SCHEMBL962123 0.79 L3MBTL1 (0.40) MTNR1ALMNAPARP1MAPTCYP1A2
SCHEMBL965188 0.78 ALDH1A1 (0.47) MTNR1APARP1MAPTCYP2C19SLC22A12

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 MTNR1A 69/4885LMNA 3461/4885PARP1 1594/4885

“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.