SCHEMBL14877151

SCHEMBL14877151

O=C(c1nccs1)N1CC(C2CCN(C(=O)c3ccc(-c4ccccc4)cc3F)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 10/20 0.49
RBP4 P02753 1/20 0.47
SMO Q99835 1/20 0.44
CYP3A4 P08684 2/20 0.42
SLC6A7 Q99884 1/20 0.41
GAA P10253 1/20 0.40
GHSR Q92847 1/20 0.40
KDM4E B2RXH2 1/20 0.39
UBE2M P61081 1/20 0.39
DCUN1D1 Q96GG9 1/20 0.39

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
SCHEMBL14877329 1.00 MGLL (0.49) MGLLRBP4SMOCYP3A4SLC6A7
SCHEMBL912647 0.87 MGLL (0.60) MGLLSMO
SCHEMBL10175842 0.85 SLC6A7 (0.57) MGLLRBP4SMOCYP3A4SLC6A7
SCHEMBL14876973 0.81 RIPK1 (0.46) MGLLGHSRUBE2MDCUN1D1
SCHEMBL14877243 0.81 RIPK1 (0.46) MGLLGHSRUBE2MDCUN1D1
SCHEMBL14876971 0.80 CYP3A4 (0.46) MGLLRBP4CYP3A4GAAUBE2M
SCHEMBL14877440 0.80 CYP3A4 (0.46) MGLLRBP4CYP3A4GAAUBE2M
SCHEMBL912110 0.79 MGLL (0.60) MGLLSMO
SCHEMBL14877286 0.79 SLC6A7 (0.56) MGLLRBP4SLC6A7GHSRUBE2M
SCHEMBL10175214 0.79 SLC6A7 (0.56) MGLLRBP4SLC6A7GHSRUBE2M

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 MGLL 3/4885RBP4 3666/4885SMO 2246/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885RBP4 3301/4885SMO 3261/4885

“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.