SCHEMBL14877243

SCHEMBL14877243

O=C(c1cscn1)N1CC(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3F)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.46
MGLL Q99685 5/20 0.44
PKM P14618 1/20 0.41
GHSR Q92847 1/20 0.40
POLB P06746 1/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK14 Q16539 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39
PARP1 P09874 1/20 0.39
NAMPT P43490 2/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL14876973 1.00 RIPK1 (0.46) RIPK1MGLLPKMGHSRPOLB
SCHEMBL912321 0.87 MGLL (0.58) RIPK1MGLLPKMGHSRPOLB
SCHEMBL14877265 0.85 MGLL (0.52) RIPK1MGLLPOLBFNTAFNTB
SCHEMBL14877151 0.81 MGLL (0.49) MGLLGHSRUBE2MDCUN1D1
SCHEMBL14877329 0.81 MGLL (0.49) MGLLGHSRUBE2MDCUN1D1
SCHEMBL14877175 0.80 MGLL (0.46) RIPK1MGLLPOLBHCRTR1HCRTR2
SCHEMBL14877009 0.80 MGLL (0.46) RIPK1MGLLPOLBHCRTR1HCRTR2
SCHEMBL912318 0.79 MGLL (0.58) RIPK1MGLLPKMPOLBPARP1
SCHEMBL14877065 0.79 SLC6A7 (0.54) MGLLGHSRUBE2MDCUN1D1
SCHEMBL14877295 0.79 SLC6A7 (0.54) MGLLGHSRUBE2MDCUN1D1

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-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-09-19 US disclosed
US-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA, NV (BE) 2013-04-25 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-20130102584-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS PNLIP, LPL, MGLL RIPK1 4640/4885MGLL 3/4885PKM 2648/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL RIPK1 4698/4885MGLL 1/4885PKM 3208/4885

“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.