SCHEMBL387529

SCHEMBL387529

CC(C)(C)OC(=O)N1CCN(c2noc(-c3ccccc3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.56
SKP1 P63208 2/20 0.56
SKP2 Q13309 2/20 0.56
ACHE P22303 2/20 0.52
S1PR1 P21453 1/20 0.50
PTPN11 Q06124 1/20 0.50
GBA1 P04062 1/20 0.49
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
GPR119 Q8TDV5 3/20 0.48
KIT P10721 1/20 0.48
PIK3CA P42336 2/20 0.48
ABCB1 P08183 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SCD5 Q86SK9 1/20 0.46
HDAC4 P56524 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 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
SCHEMBL391852 0.88 GBA1 (0.57) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL387967 0.84 S1PR1 (0.54) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL2892698 0.82 DGAT1 (0.47) S1PR1SCD5
SCHEMBL2246945 0.82 NPC1 (0.59) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL20117170 0.82 ACHE (0.46) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL391468 0.81 ADORA2A (0.44) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL20116527 0.80 USP30 (0.45) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL20116528 0.80 USP30 (0.43) CKS1BSKP1SKP2ACHES1PR1
SCHEMBL408322 0.80 USP30 (0.57) CKS1BSKP1SKP2GPR119
SCHEMBL17100788 0.79 MAPT (0.57) CKS1BSKP1SKP2GBA1GPR119

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090062293-A1 1,4-Substituted Piperazine Derivatives MSD K.K. (JP) 2009-03-05 US claimed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP claimed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8247437-B2 N-hydroxyamide derivatives and use thereof MERCK SERONO SA (CH) 2012-08-21 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-8101618-B2 1,4-substituted piperazine derivatives MSD K.K. (JP) 2012-01-24 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US disclosed
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2008-01-24 US disclosed
EP-1870401-A1 1,4-SUBSTITUTED PIPERAZINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-12-26 EP disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
US-20070191389-A1 Biaryl derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1771421-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF Applied Research Systems ARS Holding N.V. (AN) 2007-04-11 EP disclosed
EP-1764362-A1 BIARYL DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-03-21 EP disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 WO disclosed
WO-2006010751-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-02-02 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-20090062293-A1 1,4-Substituted Piperazine Derivatives GRIN1, GRM1, GRIN2C CKS1B 2830/4885SKP1 2025/4885SKP2 3286/4885
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD CKS1B 4531/4885SKP1 2959/4885SKP2 3794/4885
US-20080021028-A1 N-Hydroxyamide Derivatives and Use Thereof HCAR2, HNMT, HPGD CKS1B 4549/4885SKP1 3021/4885SKP2 3815/4885
US-20070191389-A1 Biaryl derivatives GRM1, GRIN1, GRIN2B CKS1B 582/4885SKP1 1137/4885SKP2 1446/4885

“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.