SCHEMBL3049767

SCHEMBL3049767

COc1cccc(C(=O)N(C)C(CC(N)=O)Cc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
PARP1 P09874 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GPR139 Q6DWJ6 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
GPR52 Q9Y2T5 1/20 0.44
TRPM8 Q7Z2W7 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
HTR1A P08908 1/20 0.42
PTGES O14684 1/20 0.42
ALOX5 P09917 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
SCHEMBL3058113 1.00 HCRTR1 (0.47) HCRTR1HCRTR2PARP1L3MBTL1GPR139
SCHEMBL3055732 0.91 TACR1 (0.44) HCRTR1HCRTR2L3MBTL1MEN1KMT2A
SCHEMBL3046296 0.91 TACR1 (0.44) HCRTR1HCRTR2L3MBTL1MEN1KMT2A
SCHEMBL3046975 0.89 HCRTR1 (0.59) HCRTR1HCRTR2L3MBTL1NPC1RAB9A
SCHEMBL3058130 0.89 HCRTR1 (0.59) HCRTR1HCRTR2L3MBTL1NPC1RAB9A
SCHEMBL3057212 0.87 ACHE (0.48) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL3049985 0.87 ACHE (0.48) L3MBTL1NPC1RAB9AMEN1KMT2A
SCHEMBL3053241 0.87 KMT2A (0.51) HCRTR1HCRTR2NPC1RAB9AMEN1
SCHEMBL3058133 0.87 TRPM8 (0.52) HCRTR1HCRTR2GPR139TRPM8KMT2A
SCHEMBL3048414 0.87 TRPM8 (0.52) HCRTR1HCRTR2GPR139TRPM8KMT2A

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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 US claimed
US-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES NOVARTIS AG (CH) 2010-09-02 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-20100222396-A1 4-ARYL-BUTANE-1,3-DIAMIDES CYP11B2, CYP11B1, BBC3 HCRTR1 3230/4885HCRTR2 3029/4885PARP1 2863/4885

“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.