SCHEMBL82116

SCHEMBL82116

CC(C)(C)OC(=O)N1CCCC[C@@H]1C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
UCHL1 P09936 1/20 0.44
HPGD P15428 1/20 0.44
SCN4A P35499 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD11B1 P28845 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
SCHEMBL1478184 1.00 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1478166 1.00 HSD17B10 (0.55) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2225858 0.95 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL239130 0.95 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL240483 0.95 HSD17B10 (0.59) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5069216 0.88 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1398934 0.88 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL29755212 0.88 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1118578 0.88 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL21334251 0.88 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660507-B2 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME MILLENNIUM PHARM INC (US) 2017-01-04 EP claimed
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same CEPHALON, INC. (US) 2011-06-16 US claimed
US-7915236-B2 Proteasome inhibitors and methods of using the same CEPHALON, INC. (US) 2011-03-29 US claimed
EP-1660507-B9 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2010-03-24 EP claimed
US-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON, INC. (US) 2009-11-26 US claimed
EP-1660507-B1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME CEPHALON INC (US) 2009-08-05 EP claimed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 US claimed
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2024-08-22 US disclosed
US-11702444-B2 Method for preparing natural bioactive peptide Tubulysin U SHENZHEN INSTITUTE OF GERIATRICS (CN) 2023-07-18 US disclosed
EP-3045206-B2 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY VIIV HEALTHCARE CO (US) 2023-02-15 EP disclosed
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2022-07-07 US disclosed
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity SHIONOGI & CO., LTD. (JP) 2022-03-08 US disclosed
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2020-12-17 US disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMAN-LA ROCHE AG (CH) 2008-12-04 US disclosed
WO-2008145596-A1 PIPERIDINE-AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-12-04 WO disclosed
WO-2008021927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-21 WO disclosed
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold ASTRAZENECA AB (SE) 2007-09-27 US disclosed
CN-101001840-A Therapeutic compounds: pyridines as skeletons ASTRAZENECA AB (SE) 2007-07-18 CN disclosed
US-20050107307-A1 Proteasome inhibitors and methods of using the same TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-19 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 (10 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-20090291918-A1 PROTEASOME INHIBITORS AND METHODS OF USING THE SAME PSMB11, PSMB5, PSMB6 HSD17B10 2988/4885SMN1; SMN2 1107/4885NPC1 2178/4885
US-20220213121-A1 SUBSTITUTED 1,2,3,3a,4,5,7,9,13,13a-DECAHYDROPYRIDO[1',2':4,5]PYRAZINO[1,2-a]PYRROLO[1,2-c]PYRIMIDINES HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, TYMS, POLA1 HSD17B10 2403/4885SMN1; SMN2 3758/4885NPC1 1810/4885
US-20050107307-A1 Proteasome inhibitors and methods of using the same PSMB11, PSMB5, PSMB6 HSD17B10 2988/4885SMN1; SMN2 1107/4885NPC1 2178/4885
US-11267823-B2 Substituted 1,2,3,3a,4,5,7,9,13,13a-decahydropyrido[1′,2′:4,5]pyrazino[1,2-a]pyrrolo[1,2-c]pyrimidines having HIV integrase inhibitory activity TYMP, TYMS, POLA1 HSD17B10 2403/4885SMN1; SMN2 3759/4885NPC1 1816/4885
US-20240279238-A1 POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY TYMP, CDKN1A, POLL HSD17B10 2427/4885SMN1; SMN2 4220/4885NPC1 1597/4885
US-20080300279-A1 PIPERIDINE-AMIDE DERIVATIVES CPT1A, CPT1B, CPT2 HSD17B10 276/4885SMN1; SMN2 1510/4885NPC1 113/4885
US-20200392107-A1 CYCLIC AMINE DERIVATIVE AND MEDICAL USE THEREOF NPR3, SLC10A1, CNR2 HSD17B10 836/4885SMN1; SMN2 3077/4885NPC1 609/4885
US-20070225292-A1 Therapeutic Compounds: Pyridine as Scaffold OPRL1, OPRK1, P2RX3 HSD17B10 3051/4885SMN1; SMN2 174/4885NPC1 2895/4885
US-20110144033-A1 Proteasome Inhibitors and Methods of Using the Same PSMB11, PSMB5, PSMB6 HSD17B10 2988/4885SMN1; SMN2 1107/4885NPC1 2178/4885
US-11702444-B2 Method for preparing natural bioactive peptide Tubulysin U VIP, MLN, HNRNPU HSD17B10 4455/4885SMN1; SMN2 3124/4885NPC1 3624/4885

“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.