SCHEMBL14877009

SCHEMBL14877009

O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(C2CN(C(=O)c3cscn3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.46
HSD11B1 P28845 1/20 0.43
RIPK1 Q13546 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SCD5 Q86SK9 2/20 0.42
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
UBE2M P61081 1/20 0.42
DCUN1D1 Q96GG9 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
FNTA P49354 1/20 0.41
FNTB P49356 1/20 0.41
ABL1 P00519 2/20 0.41
BCR P11274 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL14877175 1.00 MGLL (0.46) MGLLHSD11B1RIPK1POLBSMN1; SMN2
SCHEMBL912486 0.86 MGLL (0.61) MGLLPOLBSMN1; SMN2ALDH1A1TDP1
SCHEMBL14877265 0.82 MGLL (0.52) MGLLHSD11B1RIPK1POLBSMN1; SMN2
SCHEMBL14877065 0.81 SLC6A7 (0.54) MGLLHSD11B1UBE2MDCUN1D1ABL1
SCHEMBL14877295 0.81 SLC6A7 (0.54) MGLLHSD11B1UBE2MDCUN1D1ABL1
SCHEMBL14876971 0.81 CYP3A4 (0.46) MGLLHSD11B1SMN1; SMN2ALDH1A1GAA
SCHEMBL14877440 0.81 CYP3A4 (0.46) MGLLHSD11B1SMN1; SMN2ALDH1A1GAA
SCHEMBL14877243 0.80 RIPK1 (0.46) MGLLRIPK1POLBUBE2MDCUN1D1
SCHEMBL14876973 0.80 RIPK1 (0.46) MGLLRIPK1POLBUBE2MDCUN1D1
SCHEMBL14877269 0.79 HSD11B1 (0.47) MGLLHSD11B1SMN1; SMN2ALDH1A1TDP1

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 3 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-8513423-B2 Piperidin-4-yl-azetidine diamides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-08-20 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 3/4885HSD11B1 1312/4885RIPK1 4640/4885
US-20130244998-A1 PIPERIDIN-4-YL-AZETIDINE DIAMIDES AS MONOACYLGLCEROL LIPASE INHIBITORS MGLL, PNLIP, LPL MGLL 1/4885HSD11B1 1833/4885RIPK1 4698/4885

“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.