SCHEMBL698545

SCHEMBL698545

O=C(O)c1ccc2nc(C3CCCCC3)oc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 3/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
GPR55 Q9Y2T6 1/20 0.56
POLB P06746 1/20 0.54
MGLL Q99685 3/20 0.54
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TTR P02766 1/20 0.48
ALB P02768 1/20 0.48
MAOA P21397 1/20 0.48
CNR1 P21554 1/20 0.48
DRD1 P21728 1/20 0.48
OPRD1 P41143 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3A Q14432 1/20 0.48
LMNA P02545 1/20 0.47
HTR2B P41595 1/20 0.46
KMO O15229 1/20 0.46

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
SCHEMBL22530394 0.93 NPC1 (0.53) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL22442365 0.88 MGLL (0.55) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL24162877 0.86 NPC1 (0.68) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL24163201 0.83 MGLL (0.65) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL24163446 0.82 NPC1 (0.63) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL691774 0.81 MGLL (0.65) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL24162882 0.80 MEN1 (0.59) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL24163820 0.80 RAB9A (0.75) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL23698056 0.80 MGLL (0.56) NPC1RAB9AMEN1KMT2AGPR55
SCHEMBL6673800 0.80 NPC1 (0.52) NPC1RAB9AMEN1KMT2AGPR55

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390610-B2 Piperazine derivatives as MAGL inhibitors HOFFMANN-LA ROCHE INC. (US) 2022-07-19 US disclosed
EP-3694840-B1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN LA ROCHE (CH) 2021-08-04 EP disclosed
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2020-09-24 US disclosed
US-8729064-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2014-05-20 US disclosed
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2013-11-07 US disclosed
US-8435977-B2 Heteroaromatic and aromatic piperazinyl azetidinyl amides as monoacylglycerol lipase inhibitors JANSSEN PHARMACEUTICA, NV (BE) 2013-05-07 US disclosed
EP-2421535-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS Janssen Pharmaceutica N.V. (BE) 2012-02-29 EP disclosed
US-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-12-23 US disclosed
WO-2010124122-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-10-28 WO 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 (4 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG NPC1 509/4885RAB9A 361/4885MEN1 100/4885
US-20100324016-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC NPC1 241/4885RAB9A 1813/4885MEN1 4183/4885
US-20130296297-A1 HETEROAROMATIC AND AROMATIC PIPERAZINYL AZETIDINYL AMIDES AS MONOACYLGLYCEROL LIPASE INHIBITORS MGLL, PNLIP, LIPC NPC1 241/4885RAB9A 1813/4885MEN1 4183/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG NPC1 509/4885RAB9A 361/4885MEN1 100/4885

“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.