SCHEMBL964970

SCHEMBL964970

CCCCNS(=O)(=O)NC(=O)/C=C/c1c(C)nn(C)c1-n1ccc2ccc(OC)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.39
MTNR1B P49286 12/20 0.39
PTGS2 P35354 3/20 0.35
PTAFR P25105 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR6 P50406 1/20 0.33
HDAC1 Q13547 1/20 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
SCHEMBL964972 1.00 MTNR1A (0.39) MTNR1AMTNR1BPTGS2PTAFRMEN1
SCHEMBL965978 0.93 KDM4E (0.32) MTNR1AMTNR1BPTGS2KMT2AHDAC1
SCHEMBL965979 0.93 KDM4E (0.32) MTNR1AMTNR1BPTGS2KMT2AHDAC1
SCHEMBL965208 0.92 PIM3 (0.34) MTNR1AMTNR1BPTAFRHDAC1
SCHEMBL967666 0.92 MTNR1A (0.31) MTNR1AMTNR1BHDAC1
SCHEMBL967667 0.92 MTNR1A (0.31) MTNR1AMTNR1BHDAC1
SCHEMBL965210 0.92 PIM3 (0.34) MTNR1AMTNR1BPTAFRHDAC1
SCHEMBL966393 0.92 PPARG (0.38) MTNR1AMTNR1B
SCHEMBL966394 0.92 PPARG (0.38) MTNR1AMTNR1B
SCHEMBL961621 0.91 MCL1 (0.32) MTNR1AMTNR1BHDAC1

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 4 patents. 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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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 (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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 MTNR1A 310/4885MTNR1B 243/4885PTGS2 1283/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885MTNR1B 91/4885PTGS2 710/4885

“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.