SCHEMBL1748939

SCHEMBL1748939

CCC(N)CCCCNC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
TDP1 Q9NUW8 2/20 0.57
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
CA1 P00915 11/20 0.48
CA2 P00918 11/20 0.48
CA12 O43570 6/20 0.48
CA9 Q16790 6/20 0.48
ATM Q13315 1/20 0.42
CTSS P25774 2/20 0.41
CTSK P43235 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.39
TSHR P16473 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
SCHEMBL27207965 0.98 TDP1 (0.59) MEN1KMT2AGAATDP1MAOA
SCHEMBL6665327 0.95 MEN1 (0.64) MEN1KMT2AGAATDP1MAOA
Hydrochloric Acid SCHEMBL6122869 0.94 MEN1 (0.62) MEN1KMT2AGAATDP1MAOA
SCHEMBL4624537 0.89 MEN1 (0.54) MEN1KMT2AGAATDP1MAOA
SCHEMBL4107078 0.88 TDP1 (0.61) MEN1KMT2AGAATDP1MAOA
SCHEMBL20364081 0.88 MEN1 (0.58) MEN1KMT2AGAATDP1MAOA
SCHEMBL6357111 0.88 MEN1 (0.58) MEN1KMT2AGAATDP1MAOA
SCHEMBL30915267 0.88 TDP1 (0.61) MEN1KMT2AGAATDP1MAOA
SCHEMBL4107080 0.88 TDP1 (0.61) MEN1KMT2AGAATDP1MAOA
SCHEMBL7793993 0.85 MEN1 (0.59) MEN1KMT2AGAATDP1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2024-08-22 US disclosed
EP-4363422-A1 MACROCYCLIC TAK1 INHIBITORS Aqilion AB (SE) 2024-05-08 EP disclosed
CN-117561262-A Macrocyclic TAK1 inhibitors 阿奎利恩有限公司 2024-02-13 CN disclosed
WO-2023275199-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2023-01-05 WO disclosed
WO-2023275199-A1 MACROCYCLIC TAK1 INHIBITORS AQILION AB (SE) 2023-01-05 WO disclosed
US-7968548-B2 Agonist or antgonist and binders and inversion of agonist; use in the treatment of metabolic, immune, infection-related and melanocortin receptor mediated disorders including specifically treatment of obesity and related conditions PALATIN TECHNOLOGIES, INC. (US) 2011-06-28 US disclosed
US-7727991-B2 Substituted melanocortin receptor-specific single acyl piperazine compounds PALATIN TECHNOLOGIES, INC. (US) 2010-06-01 US disclosed
EP-1922072-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS Palatin Technologies, Inc. (US) 2008-05-21 EP disclosed
WO-2007021990-A2 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2007-02-22 WO disclosed
US-20060287330-A1 Substituted Melanocortin Receptor-Specific Single Acyl Piperazine Compounds PALATIN TECHNOLOGIES, INC. (US) 2006-12-21 US disclosed
US-20060287331-A1 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS PALATIN TECHNOLOGIES, INC. (US) 2006-12-21 US 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 (3 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-20060287330-A1 Substituted Melanocortin Receptor-Specific Single Acyl Piperazine Compounds MC4R, MC5R, MC3R MEN1 2493/4885KMT2A 168/4885GAA 3817/4885
US-20240279233-A1 MACROCYCLIC TAK1 INHIBITORS TAB1, TBK1, IRAK3 MEN1 317/4885KMT2A 1921/4885GAA 3191/4885
US-20060287331-A1 MELANOCORTIN RECEPTOR-SPECIFIC PIPERAZINE COMPOUNDS WITH DIAMINE GROUPS MC4R, MC1R, MC5R MEN1 1160/4885KMT2A 208/4885GAA 3950/4885

“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.