SCHEMBL504847

SCHEMBL504847

COC(=O)C(C)(C)c1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNN4 O15554 1/20 0.43
CYP19A1 P11511 1/20 0.43
TSHR P16473 1/20 0.42
AHR P35869 1/20 0.41
BLM P54132 1/20 0.41
CYP2D6 P10635 1/20 0.41
AGTR1 P30556 1/20 0.40
ADORA2A P29274 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
RAB9A P51151 1/20 0.40
CYP2C19 P33261 1/20 0.40
SRC P12931 1/20 0.40
HDAC6 Q9UBN7 2/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11001068 0.84 SMN1; SMN2 (0.50) PLCG1SMN1; SMN2L3MBTL1KCNN4TSHR
SCHEMBL9978324 0.84 SMN1; SMN2 (0.46) PLCG1SMN1; SMN2L3MBTL1KCNN4TSHR
SCHEMBL1027526 0.83 AHR (0.46) PLCG1SMN1; SMN2L3MBTL1KCNN4AHR
SCHEMBL28403522 0.82 SMN1; SMN2 (0.47) PLCG1SMN1; SMN2L3MBTL1KCNN4AHR
SCHEMBL3134099 0.81 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CYP19A1TSHRBLM
SCHEMBL20166133 0.81 AHR (0.47) PLCG1SMN1; SMN2L3MBTL1KCNN4AHR
SCHEMBL10334728 0.81 SMN1; SMN2 (0.46) PLCG1SMN1; SMN2L3MBTL1KCNN4AHR
SCHEMBL12928720 0.79 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1TSHRBLMCYP2D6
SCHEMBL505194 0.79 L3MBTL1 (0.52) SMN1; SMN2L3MBTL1TSHRBLMCYP2D6
SCHEMBL5700780 0.79 SMN1; SMN2 (0.44) PLCG1SMN1; SMN2L3MBTL1KCNN4AHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 US disclosed
US-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO HEALTH, INC. (US) 2024-02-06 US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 EP disclosed
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS Valo Health, LLC 2022-11-17 US disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 CN disclosed
CN-107873023-B 3-alkyl-4-amido-bicyclo [4, 5, 0] hydroxamic acids as HDAC inhibitors 福马治疗股份有限公司 2021-07-23 CN disclosed
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors VALO EARLY DISCOVERY, INC. (US) 2021-04-27 US disclosed
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2012-02-02 US disclosed
US-7868036-B2 Organic compounds NOVARTIS AG (CH) 2011-01-11 US disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
WO-2010114971-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-10-07 WO disclosed
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor NOVARTIS AG (CH) 2009-05-07 US disclosed
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF ASTELLAS PHARMA INC. (JP) 2009-03-26 US disclosed
EP-1995243-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-26 EP disclosed
US-20080058320-A1 Organic Compounds NOVARTIS AG (CH) 2008-03-06 US disclosed
EP-1725530-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-11-29 EP disclosed
WO-2005090304-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-09-29 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 (8 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-11891365-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 PLCG1 4608/4885SMN1; SMN2 911/4885L3MBTL1 178/4885
US-20120029190-A1 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF GRM5, GRM2, GRM1 PLCG1 1470/4885SMN1; SMN2 184/4885L3MBTL1 3924/4885
US-20090118281-A1 Amino Alcohol Derivatives And Their Use As Renin Inhibitor REN, AGTR1, ADH1A PLCG1 4449/4885SMN1; SMN2 4687/4885L3MBTL1 3039/4885
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA PLCG1 2220/4885SMN1; SMN2 4471/4885L3MBTL1 4147/4885
US-10988450-B2 3-alkyl-4-amido-bicyclic [4,5,0] hydroxamic acids as HDAC inhibitors HDAC1, HDAC4, HDAC2 PLCG1 4608/4885SMN1; SMN2 911/4885L3MBTL1 178/4885
US-20220363651-A1 3-ALKYL-4-AMIDO-BICYCLIC [4,5,0] HYDROXAMIC ACIDS AS HDAC INHIBITORS HDAC1, HDAC4, HDAC2 PLCG1 4608/4885SMN1; SMN2 911/4885L3MBTL1 178/4885
US-20090082367-A1 TRIAZOLE DERIVATIVE OR A SALT THEREOF HSD11B1, HSD11B2, HSD17B1 PLCG1 3849/4885SMN1; SMN2 3838/4885L3MBTL1 1809/4885
US-20080058320-A1 Organic Compounds REN, AGTR1, ADH1C PLCG1 4813/4885SMN1; SMN2 4528/4885L3MBTL1 3264/4885

“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.