SCHEMBL25429308

SCHEMBL25429308

Cn1cc(C2=CCCN(C(=O)OC(C)(C)C)C2)ccc1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WDR5 P61964 2/20 0.42
▸ ESR2 Q92731 1/20 0.39
▸ PDK4 Q16654 1/20 0.39
▸ NR1H2 P55055 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ SETD7 Q8WTS6 2/20 0.37
▸ RORC P51449 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GPR119 Q8TDV5 2/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ CRBN Q96SW2 1/20 0.35
▸ POLB P06746 1/20 0.35

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
SCHEMBL29197658 0.81 ESR2 (0.55) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL22944628 0.80 NAMPT (0.48) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL22945237 0.80 MEN1 (0.51) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL19459096 0.80 ESR2 (0.45) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL28835616 0.80 NR1H2 (0.56) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL6352947 0.80 MAPK1 (0.49) ESR2PDK4NR1H2MAPK1NAMPT
SCHEMBL22944160 0.79 GPR119 (0.53) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL21425206 0.78 MAPT (0.50) ESR2PDK4NR1H2MAPK1PTPN2
SCHEMBL21424904 0.78 GPR119 (0.48) GPR119DGAT2
SCHEMBL22441484 0.78 GRM1 (0.48) ESR2PDK4NR1H2MAPK1NAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11976057-B2 MrgX2 antagonists GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-05-07 — — US disclosed
EP-4225746-A1 MRGX2 ANTAGONISTS GlaxoSmithKline Intellectual Property Development Limited (GB) 2023-08-16 — — EP disclosed
CN-116390917-A MRGX2 antagonists 葛兰素史密斯克莱知识产权发展有限公司 2023-07-04 — — CN disclosed
WO-2022073904-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — WO disclosed
US-20220112174-A1 MRGX2 ANTAGONISTS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-04-14 — — 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 (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-11976057-B2 MrgX2 antagonists MRGPRX2, MRGPRX1, MRGPRX4 WDR5 1048/4885ESR2 215/4885PDK4 4599/4885
US-20220112174-A1 MRGX2 ANTAGONISTS MRGPRX2, MRGPRX1, MRGPRX4 WDR5 1048/4885ESR2 215/4885PDK4 4599/4885

“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.

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