SCHEMBL5599546

SCHEMBL5599546

CC(O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HTT P42858 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
NPC1 O15118 1/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
RECQL P46063 1/20 0.43
EPHX1 P07099 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.40
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL2737190 0.87 HRH3 (0.58) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL27365987 0.86 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL18294 0.84 USP2 (0.69) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL698803 0.84 USP2 (0.69) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL20154450 0.84 USP2 (0.51) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL3565907 0.84 USP2 (0.51) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL8510395 0.84 USP2 (0.51) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL24669979 0.82 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL64202 0.82 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1
SCHEMBL20231615 0.82 USP2 (0.50) USP2SMN1; SMN2HTTATMALDH1A1

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
CN-117886881-A Chimeric compound for targeted degradation of BCL-2 protein, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-04-16 CN disclosed
EP-3362441-B1 SELECTIVE NR2B ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2020-08-12 EP disclosed
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO disclosed
WO-2017066366-A1 SELECTIVE NR2B ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-04-20 WO disclosed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US disclosed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 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 (1 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-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 USP2 3991/4885SMN1; SMN2 2664/4885HTT 3634/4885

“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.