SCHEMBL554777

SCHEMBL554777

CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
DRD2 P14416 4/20 0.54
DRD4 P21917 4/20 0.54
DRD3 P35462 2/20 0.54
BCHE P06276 2/20 0.53
MAOB P27338 2/20 0.53
MCHR1 Q99705 1/20 0.52
ACHE P22303 1/20 0.51
CCR2 P41597 2/20 0.51
NPC1 O15118 1/20 0.50
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
KCNA3 P22001 1/20 0.50
ALDH1A1 P00352 1/20 0.50
ROCK2 O75116 2/20 0.49
USP30 Q70CQ3 1/20 0.49

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
SCHEMBL5412662 1.00 KMT2A (0.64) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL6128768 1.00 KMT2A (0.64) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL555720 0.97 KMT2A (0.62) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL2241424 0.93 KMT2A (0.63) KMT2AL3MBTL1DRD2DRD4BCHE
SCHEMBL178929 0.93 KMT2A (0.63) KMT2AL3MBTL1DRD2DRD4BCHE
SCHEMBL2241423 0.93 KMT2A (0.63) KMT2AL3MBTL1DRD2DRD4BCHE
SCHEMBL555464 0.91 KMT2A (0.64) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL555251 0.90 KMT2A (0.62) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL1934958 0.90 KMT2A (0.54) KMT2AL3MBTL1DRD2DRD4DRD3
SCHEMBL4848198 0.90 KMT2A (0.60) KMT2AL3MBTL1CCR2NPC1ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117625708-A Preparation method of R-3-Boc aminopiperidine 峨眉山宏昇药业股份有限公司 2024-03-01 CN claimed
CN-117625708-A Preparation method of R-3-Boc aminopiperidine 峨眉山宏昇药业股份有限公司 2024-03-01 CN disclosed
CN-115856102-B Quality control method of (R) -3-Boc-aminopiperidine 江苏正大清江制药有限公司 2023-11-10 CN disclosed
CN-115856102-A (R) -3-Boc-aminopiperidine quality control method 江苏正大清江制药有限公司 2023-03-28 CN disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2021-06-17 US disclosed
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS ABBVIE INC. 2019-09-19 US disclosed
EP-3483167-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2019-05-15 EP disclosed
EP-1368349-B1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2007-02-14 EP disclosed
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS HIMMELSBACH FRANK 2006-11-02 US disclosed
US-7109192-B2 Substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2006-09-19 US disclosed
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-09-14 US disclosed
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-01-27 US disclosed
US-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-05-06 US disclosed
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment BOEHRINGER INGELHEIM PHARMA GMBH & CO KG (DE) 2004-04-22 US disclosed
EP-1368349-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-10 EP disclosed
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-26 US disclosed
WO-2002068420-A1 XANTHINE DERIVATIVE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-06 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-20040087587-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3433/4885L3MBTL1 2278/4885DRD2 905/4885
US-20210179556-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 KMT2A 372/4885L3MBTL1 2457/4885DRD2 3039/4885
US-20060205711-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3439/4885L3MBTL1 2284/4885DRD2 908/4885
US-20050020574-A1 New substituted imidazo-pyridinones and imidazo-pyridazinones, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 2970/4885L3MBTL1 4269/4885DRD2 2189/4885
US-20060247226-A1 XANTHINE DERIVATIVES, THE PREPARATION THEREOF AND THEIR USE AS PHARMACEUTICAL COMPOSITIONS DPP4, DPP3, DPP7 KMT2A 3439/4885L3MBTL1 2284/4885DRD2 908/4885
US-20190284135-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS BTK, SYK, MYD88 KMT2A 372/4885L3MBTL1 2457/4885DRD2 3039/4885
US-20020198205-A1 Xanthine derivatives, the preparation thereof and their use as pharmaceutical compositions DPP4, DPP3, DPP7 KMT2A 3433/4885L3MBTL1 2278/4885DRD2 905/4885
US-20040077645-A1 Dipeptidyl aminopeptidase inhibitors; diabetes mellitus, arthritis, obesity, allograft transplantation and osteoporosis treatment DPP4, DPP3, DPP7 KMT2A 3251/4885L3MBTL1 857/4885DRD2 2616/4885

“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.