SCHEMBL178929

SCHEMBL178929

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

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MCHR1 Q99705 1/20 0.59
DRD4 P21917 9/20 0.59
DRD2 P14416 8/20 0.59
KCNA3 P22001 1/20 0.57
MEN1 O00255 1/20 0.55
SIGMAR1 Q99720 2/20 0.54
BACE1 P56817 2/20 0.54
BCHE P06276 1/20 0.53
ACHE P22303 1/20 0.53
DPP7 Q9UHL4 1/20 0.53

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
SCHEMBL2241423 1.00 KMT2A (0.63) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL2241424 1.00 KMT2A (0.63) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL1412221 0.95 KMT2A (0.58) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL1412219 0.95 KMT2A (0.58) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL1412348 0.93 KMT2A (0.56) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL17269909 0.93 DRD2 (0.64) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL5412662 0.93 KMT2A (0.64) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL6128768 0.93 KMT2A (0.64) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL554777 0.93 KMT2A (0.64) KMT2AL3MBTL1MCHR1DRD4DRD2
SCHEMBL555251 0.93 KMT2A (0.62) KMT2AL3MBTL1MCHR1DRD4DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111718250-B Method for preparing R-citronellal 万华化学集团股份有限公司 2022-04-22 CN claimed
CN-111718250-A Method for preparing R-citronellal 万华化学集团股份有限公司 2020-09-29 CN claimed
CN-111718250-B Method for preparing R-citronellal 万华化学集团股份有限公司 2022-04-22 CN disclosed
CN-111718250-A Method for preparing R-citronellal 万华化学集团股份有限公司 2020-09-29 CN disclosed
CN-108137608-B Janus kinase 1 selective inhibitor and pharmaceutical application thereof 阳智化学(株) 2020-06-19 CN disclosed
US-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof YANG JI CHEMICAL CO., LTD. (KR) 2019-09-10 US disclosed
WO-2017120164-A1 FUSED QUADRACYCLIC COMPOUNDS, COMPOSITIONS AND USES THEREOF Tabomedex Biosciences, LLC (US) 2017-07-13 WO disclosed
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders PROSIDION LIMITED (GB) 2012-03-08 US disclosed
WO-2011147951-A1 CYCLOAMINO DERIVATIVES AS GPR119 ANTAGONISTS PROSIDION LIMITED (GB) 2011-12-01 WO disclosed
WO-2010103334-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS PROSIDION LIMITED (GB) 2010-09-16 WO disclosed
EP-0723545-B1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LAB (US) 2002-05-08 EP disclosed
EP-0912175-A1 FIBRINOGEN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 1999-05-06 EP disclosed
US-5854245-A Fibrinogen receptor antagonists MERCK & CO., INC. (US) 1998-12-29 US disclosed
WO-1998050534-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 WO disclosed
US-5726182-A TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1998-03-10 US disclosed
WO-1998000134-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-01-08 WO disclosed
US-5599816-A BACTERICIDE ABBOTT LABORATORIES (US) 1997-02-04 US disclosed
WO-1996039407-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1996-12-12 WO disclosed
US-5580872-A ADMINISTERING IN THE TREATMENT OF BACTERIAL INFECTIONS ABBOTT LABORATORIES (US) 1996-12-03 US disclosed
WO-1995010519-A1 QUINOLIZINONE TYPE COMPOUNDS ABBOTT LABORATORIES (US) 1995-04-20 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 (2 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-10407430-B2 Janus kinase 1 selective inhibitor and pharmaceutical use thereof JAK1, JAK2, JAK3 KMT2A 1054/4885L3MBTL1 2811/4885MCHR1 944/4885
US-20120059014-A1 Compounds for the Treatment of Metabolic Disorders GPR119, FFAR2, GPBAR1 KMT2A 3204/4885L3MBTL1 4277/4885MCHR1 517/4885

“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.