SCHEMBL2947875

SCHEMBL2947875

CC1(C)CCN(c2ccc(C(=O)O)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 2/20 0.54
KDM4E B2RXH2 2/20 0.51
MGLL Q99685 2/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
BCL2L1 Q07817 1/20 0.44
CHEK1 O14757 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA9 Q16790 1/20 0.43
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 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
SCHEMBL376845 0.91 USP2 (0.60) USP2KDM4EMGLLALDH1A1MAPT
SCHEMBL2952188 0.90 USP2 (0.51) USP2KDM4EALDH1A1MAPTHPGD
SCHEMBL22442348 0.83 KDM4E (0.56) USP2KDM4EMGLLALDH1A1HPGD
SCHEMBL2944544 0.82 ALDH1A1 (0.57) KDM4EMGLLALDH1A1MAPTHPGD
SCHEMBL23698060 0.81 HDAC4 (0.53) USP2KDM4EMGLLALDH1A1MAPT
SCHEMBL23698051 0.81 MGLL (0.51) USP2KDM4EMGLLALDH1A1MAPT
SCHEMBL20897484 0.80 CYP3A4 (0.54) USP2KDM4EMGLLALDH1A1HPGD
SCHEMBL2951118 0.80 CYP3A4 (0.54) USP2KDM4EMGLLALDH1A1HPGD
SCHEMBL29017768 0.80 KDM4E (0.49) USP2KDM4EMGLLALDH1A1MAPT
SCHEMBL22857712 0.80 CYP3A4 (0.50) USP2ALDH1A1HPGDMEN1KMT2A

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 13 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
US-7754886-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2010-07-13 US disclosed
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2009-05-28 US disclosed
US-7504512-B2 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES (US) 2009-03-17 US disclosed
EP-1318978-B1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LAB (US) 2006-02-08 EP disclosed
US-20040192681-A1 N-acylsulfonamide apoptosis promoters ABBVIE INC. 2004-09-30 US disclosed
US-6720338-B2 BCL-X1 INHIBITING COMPOSITIONS AND METHODS OF PROMOTING APOPTOSIS IN A MAMMAL ABBOTT LABORATORIES 2004-04-13 US disclosed
US-20020086887-A1 N-Acylsulfonamide apoptosis promoters ABBVIE INC. 2002-07-04 US disclosed
US-20020055631-A1 N-acylsulfonamide apoptosis promoters ABBOTT LABORATORIES 2002-05-09 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 (6 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-20020086887-A1 N-Acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 USP2 1839/4885KDM4E 1911/4885MGLL 3126/4885
US-20020055631-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 USP2 1819/4885KDM4E 1563/4885MGLL 2523/4885
US-20040192681-A1 N-acylsulfonamide apoptosis promoters BAX, BCLAF1, BCL2 USP2 1839/4885KDM4E 1911/4885MGLL 3126/4885
US-11390610-B2 Piperazine derivatives as MAGL inhibitors MAGI3, PYM1, MAG USP2 2552/4885KDM4E 2009/4885MGLL 10/4885
US-20090137585-A1 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS BAX, BCL2, BCOR USP2 1610/4885KDM4E 1143/4885MGLL 1834/4885
US-20200299277-A1 PIPERAZINE DERIVATIVES AS MAGL INHIBITORS MAGI3, PYM1, MAG USP2 2552/4885KDM4E 2009/4885MGLL 10/4885

“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.