SCHEMBL22441287

SCHEMBL22441287

[CH2]NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.52
GRIN3B O60391 2/20 0.52
GRIN1 Q05586 2/20 0.52
GRIN2A Q12879 2/20 0.52
GRIN2B Q13224 2/20 0.52
GRIN2C Q14957 2/20 0.52
GRIN3A Q8TCU5 2/20 0.52
EPHX2 P34913 4/20 0.46
EPHX1 P07099 1/20 0.46
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
LMNA P02545 2/20 0.38
SLC22A2 O15244 1/20 0.38
SLC22A1 O15245 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
STAT6 P42226 1/20 0.38
SLC47A1 Q96FL8 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL22441289 0.87
SCHEMBL1072721 0.73 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11148894 0.73 GRIN2D (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11156721 0.71 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL630317 0.69 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13447484 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4035388 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2365754 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21665022 0.69 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL178462 0.69 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024015637-A1 GLUTATHIONE PEROXIDASE 4 (GPX4) INHIBITORS FOR THE TREATMENT OF CANCER Ferro Therapeutics, Inc. (US) 2024-01-18 WO disclosed
US-20230114107-A1 COMBINATION ANTI-CANCER THERAPIES WITH INDUCERS OF IRON-DEPENDENT CELLULAR DISASSEMBLY FLAGSHIP PIONEERING, INC. 2023-04-13 US disclosed
CN-114008024-A Compounds having iron death inducing activity and methods of using the same 费罗治疗公司 2022-02-01 CN disclosed
US-20220002280-A1 COMPOUNDS AND METHODS OF USE FERRO THERAPEUTICS INC (US) 2022-01-06 US disclosed
WO-2021127217-A1 COMBINATION ANTI-CANCER THERAPIES WITH INDUCERS OF IRON-DEPENDENT CELLULAR DISASSEMBLY FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-06-24 WO disclosed
US-11040964-B2 Compounds and methods of use Ferro Therapeutics, Inc. (US) 2021-06-22 US disclosed
US-20200299283-A1 COMPOUNDS AND METHODS OF USE BRIDGEBIO PHARMA, INC. 2020-09-24 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 (4 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-20230114107-A1 COMBINATION ANTI-CANCER THERAPIES WITH INDUCERS OF IRON-DEPENDENT CELLULAR DISASSEMBLY DDIT3, AIFM2, TP53 GRIN2D 4413/4885GRIN3B 3543/4885GRIN1 3748/4885
US-20220002280-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 GRIN2D 3420/4885GRIN3B 2431/4885GRIN1 2447/4885
US-20200299283-A1 COMPOUNDS AND METHODS OF USE AIFM2, GPX4, GPX1 GRIN2D 3420/4885GRIN3B 2431/4885GRIN1 2447/4885
US-11040964-B2 Compounds and methods of use AIFM2, GPX4, GPX1 GRIN2D 3420/4885GRIN3B 2431/4885GRIN1 2447/4885

“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.