SCHEMBL30747784

SCHEMBL30747784

COc1ccccc1N1CCN(C(N)=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.68
AKR1C3 P42330 1/20 0.66
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
POLB P06746 2/20 0.63
PKM P14618 1/20 0.63
HPGDS O60760 1/20 0.63
DRD2 P14416 1/20 0.61
DRD3 P35462 1/20 0.61
ALDH1A1 P00352 5/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
LMNA P02545 2/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL8362372 1.00 TSHR (0.68) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL16026545 0.87 PKM (0.74) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL27829788 0.87 AKR1C3 (0.83) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL3904994 0.86 KMT2A (0.68) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL7793932 0.86 AKR1C3 (0.68) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL7803129 0.84 DRD2 (0.61) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL4081243 0.84 CYP2C19 (0.69) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL1423195 0.84 AKR1C3 (0.66) TSHRAKR1C3KMT2AMEN1POLB
SCHEMBL14500742 0.84 TSHR (0.71) TSHRAKR1C3KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL5416819 0.82 TSHR (0.70) TSHRAKR1C3KMT2AMEN1POLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4554569-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS Oxford Antibiotic Group GmbH (AT) 2025-05-21 EP claimed
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN claimed
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN claimed
WO-2024013400-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS OXFORD ANTIBIOTIC GROUP GMBH (AT) 2024-01-18 WO claimed
EP-4554569-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS Oxford Antibiotic Group GmbH (AT) 2025-05-21 EP disclosed
CN-119866217-A Agent for restoring metal steady state containing malonic acid or derivative thereof 牛津抗生素(制药)集团股份有限公司 2025-04-22 CN disclosed
CN-118221633-A TRPV1/URAT1 dual inhibitor, preparation method and application thereof 郑州大学第一附属医院 2024-06-21 CN disclosed
WO-2024013400-A1 AGENT CONTAINING MALONIC ACID OR ITS DERIVATIVES FOR RESTORING METAL HOMEOSTASIS OXFORD ANTIBIOTIC GROUP GMBH (AT) 2024-01-18 WO disclosed