SCHEMBL30729623

SCHEMBL30729623

CC(C)(C)OC(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)[C@@H](CO)C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 5/20 0.50
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GPR119 Q8TDV5 7/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SLC6A9 P48067 2/20 0.39
KCNH2 Q12809 2/20 0.39
ACACB O00763 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 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
SCHEMBL14465886 1.00 CXCR3 (0.50) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL26958997 1.00 CXCR3 (0.50) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL31491286 1.00 CXCR3 (0.50) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL31382096 0.92 CXCR3 (0.43) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL31381998 0.92 CXCR3 (0.43) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL29841903 0.91 MEN1 (0.42) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL29841804 0.91 MEN1 (0.42) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL24674717 0.90 MEN1 (0.42) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL24763856 0.90 MEN1 (0.42) CXCR3MEN1KMT2AGPR119SMN1; SMN2
SCHEMBL24675192 0.89 MEN1 (0.41) CXCR3MEN1KMT2AGPR119SMN1; SMN2

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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF SHANGHAI APEIRON THERAPEUTICS COMPANY LIMITED (CN) 2024-05-23 US disclosed
EP-4289845-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Shanghai Apeiron Therapeutics Company Limited (CN) 2023-12-13 EP 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-20240166664-A1 TRIHETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, WEE1, WEE2 CXCR3 2010/4885MEN1 1150/4885KMT2A 2349/4885

“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.