SCHEMBL7296203

SCHEMBL7296203

N#CC1(c2ccc(C(=O)O)cc2)CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
MEN1 O00255 3/20 0.60
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
LMNA P02545 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.51
TP53 P04637 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
MGLL Q99685 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA7 P43166 1/20 0.43

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
SCHEMBL994377 0.93 NPC1 (0.51) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL24214280 0.85 NPC1 (0.46) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL2816695 0.84 NPC1 (0.55) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL308377 0.81 NPC1 (0.53) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL9695857 0.80 ALDH1A1 (0.62) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL21820627 0.80 ALDH1A1 (0.55) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL2518839 0.79 NPC1 (0.53) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL10390699 0.77 ESR1 (0.54) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL2518751 0.77 KMT2A (0.51) NPC1RAB9AMEN1ALDH1A1KMT2A
SCHEMBL56575 0.77 NPC1 (0.57) NPC1RAB9AMEN1ALDH1A1KMT2A

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 8 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
EP-3694840-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS Hoffmann-La Roche AG (CH) 2020-08-19 EP disclosed
WO-2019072785-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2019-04-18 WO disclosed
EP-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP 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-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG NPC1 509/4885RAB9A 361/4885MEN1 100/4885
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.