SCHEMBL26577971

SCHEMBL26577971

C[N+]1(C)CC[N+](C)(CC(=O)NN)CC1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.37
KDM4E B2RXH2 3/20 0.32
KDM5C P41229 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
TSHR P16473 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
TERT O14746 1/20 0.30

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
SCHEMBL18850905 0.94 CTSD (0.41) CTSDKDM4EKDM5CPHF8KDM2A
Hydrochloric Acid SCHEMBL18824462 0.91 CTSD (0.39) CTSDKDM4EKDM5CPHF8KDM2A
SCHEMBL17591541 0.83 TSHR (0.46) CTSDKDM4ETSHRCTDSP1ALDH1A1
Bromide SCHEMBL19439475 0.82 TSHR (0.44) CTSDKDM4ETSHRCTDSP1ALDH1A1
SCHEMBL9967921 0.80 NPC1 (0.44) CTSDKDM4EKDM5CPHF8KDM2A
Bromide SCHEMBL9938364 0.79 NPC1 (0.46) CTSDCTDSP1ALDH1A1POLBTERT
Hydrochloric Acid SCHEMBL9937783 0.79 NPC1 (0.43) CTSDCTDSP1ALDH1A1POLBTERT
SCHEMBL13051491 0.73 BBOX1 (0.39) KDM4ETSHRCTDSP1HTT
SCHEMBL24896646 0.72 POLB (0.33) POLBHTT
SCHEMBL26577967 0.71 KDM4E (0.39) CTSDKDM4EALDH1A1POLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11794161-B1 Reduced permeability microcapsules TRUCAPSOL, LLC (US) 2023-10-24 US disclosed
US-20230330615-A1 MICROCAPSULES COMPRISING NATURAL MATERIALS ALTER DOMUS (US) LLC 2023-10-19 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-11794161-B1 Reduced permeability microcapsules CHMP4B, NSF, ACR CTSD 778/4885KDM4E 2666/4885KDM5C 2347/4885
US-20230330615-A1 MICROCAPSULES COMPRISING NATURAL MATERIALS RCC1, SAMM50, LIPA CTSD 2955/4885KDM4E 3016/4885KDM5C 1595/4885

“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.