SCHEMBL25769017

SCHEMBL25769017

CCC(=O)[C@H]1CCC[C@H](N)C1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.34
KDM1A O60341 1/20 0.34
ULK1 O75385 3/20 0.33
SMYD3 Q9H7B4 6/20 0.32
TRPM8 Q7Z2W7 3/20 0.31
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
ANPEP P15144 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30
HSD11B1 P28845 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
SCHEMBL8286944 1.00 TLR4 (0.34) TLR4KDM1AULK1SMYD3TRPM8
SCHEMBL8285949 0.90 TLR4 (0.37) TLR4SMYD3
SCHEMBL25769031 0.90 TLR4 (0.37) TLR4SMYD3
SCHEMBL22519397 0.81
SCHEMBL256032 0.80
SCHEMBL12826153 0.78 ACE (0.41) ANPEP
SCHEMBL23960485 0.77 KDM1A (0.36) TLR4KDM1AULK1SMYD3CES2
SCHEMBL8284979 0.77 KDM1A (0.36) TLR4KDM1AULK1SMYD3CES2
SCHEMBL25648881 0.77 KDM1A (0.36) TLR4KDM1AULK1SMYD3CES2
SCHEMBL16199056 0.77 KDM1A (0.36) TLR4KDM1AULK1SMYD3CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 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 (1 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-20230203096-A1 EPHA4 TARGETING COMPOUNDS AND METHODS OF USE THEREOF EPHA4, EPHA1, EPHA5 TLR4 382/4885KDM1A 1937/4885ULK1 4061/4885

“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.