SCHEMBL188584

SCHEMBL188584

[c]1ccc(C2CCNCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
HTR2C P28335 11/20 0.52
QDPR P09417 1/20 0.47
HTR3A P46098 1/20 0.44
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NAMPT P43490 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1028314 0.87 HTR3A (0.60) SLC18A3SIGMAR1HTR3A
SCHEMBL1029478 0.87 HTR3A (0.60) SLC18A3SIGMAR1HTR3A
SCHEMBL694509 0.87 HTR3A (0.60) SLC18A3SIGMAR1HTR3A
SCHEMBL22929 0.85
SCHEMBL6578876 0.85 POLB (0.46) SLC18A3SIGMAR1POLB
SCHEMBL43455 0.78 ESR2 (0.47) SLC18A3SIGMAR1POLB
SCHEMBL21538 0.78 ESR2 (0.42) SLC18A3KMT2APOLB
SCHEMBL1244751 0.77 DRD2 (0.51) HTR3A
SCHEMBL2092662 0.77 SLC18A3 (0.61) SLC18A3SIGMAR1HTR2CQDPRHPGD
SCHEMBL22833 0.76 CYP11B2 (0.42) SLC18A3KMT2ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104028308-B Nanometer photo-catalyst used in producing hydrogen by decomposing water under visible light response and application of nanometer photo-catalyst 中国科学院新疆理化技术研究所 2017-01-18 CN claimed
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2016-08-04 US claimed
WO-2015038417-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS ASANA BIOSCIENCES, LLC (US) 2015-03-19 WO claimed
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed
CN-1829513-A 5-membered heterocycle-based p-38 inhibitors NOVARTIS AG (CH) 2006-09-06 CN claimed
EP-1121372-B1 ADENINE DERIVATIVES PFIZER LTD (GB) 2006-06-28 EP claimed
EP-1635824-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS Novartis AG (CH) 2006-03-22 EP claimed
WO-2005000298-A2 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2005-01-06 WO claimed
US-20040254236-A1 P-38 inhibitors NOVARTIS AG (CH) 2004-12-16 US claimed
EP-1156787-A4 OXADIAZOLE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2002-04-24 EP claimed
US-6326359-B1 PURINE DERIVATIVES PFIZER INC 2001-12-04 US claimed
EP-1156787-A1 OXADIAZOLE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2001-11-28 EP claimed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP claimed
WO-2000047188-A1 OXADIAZOLE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2000-08-17 WO claimed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 WO claimed
CN-115996719-A BRAF degradation agent C4医药公司 2023-04-21 CN disclosed
EP-4146655-A1 DEGRADATION OF BRUTON'S TYROSINE KINASE (BTK) BY CONJUGATION OF BTK INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE BeiGene, Ltd. (KY) 2023-03-15 EP disclosed
EP-1121372-A1 ADENINE DERIVATIVES Pfizer Limited (GB) 2001-08-08 EP disclosed
WO-2000047188-A1 OXADIAZOLE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2000-08-17 WO disclosed
WO-2000023457-A1 ADENINE DERIVATIVES PFIZER LIMITED (GB) 2000-04-27 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-20040254236-A1 P-38 inhibitors MAPK8, MAP3K8, MAPK1 SLC18A3 4691/4885SIGMAR1 3146/4885HTR2C 1888/4885
US-20160222014-A1 COMPOUNDS FOR REGULATING FAK AND/OR SRC PATHWAYS SRC, PTK2, FYN SLC18A3 4817/4885SIGMAR1 3299/4885HTR2C 2444/4885

“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.