SCHEMBL962968

SCHEMBL962968

CC(C)CCNS(=O)(=O)NC(=O)/C=C/c1c(C2CC2)nn(C)c1-n1ccc2cccnc21

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
CFD P00746 1/20 0.31
BRAF P15056 2/20 0.31
ENPP3 O14638 1/20 0.30
ENPP1 P22413 1/20 0.30

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
SCHEMBL962971 1.00 MTNR1A (0.34) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL962821 0.92 HDAC3 (0.35) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL962820 0.92 HDAC3 (0.35) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL962757 0.90 CNR1 (0.35) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL962754 0.90 CNR1 (0.35) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL966097 0.88 HDAC3 (0.35) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL966099 0.88 HDAC3 (0.35) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL967860 0.88 MTNR1A (0.37) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL967858 0.88 MTNR1A (0.37) MTNR1AHDAC3HDAC4HDAC1HDAC7
SCHEMBL4554770 0.86 MTNR1A (0.34) MTNR1AHDAC3HDAC4HDAC1HDAC7

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 2 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
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 310/4885HDAC3 131/4885HDAC4 191/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG MTNR1A 69/4885HDAC3 103/4885HDAC4 316/4885

“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.