SCHEMBL30729618

SCHEMBL30729618

CC(C)(C)OC(=O)N1CCN2c3ncc(C(F)(F)F)cc3CNC[C@H]2C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TIPARP Q7Z3E1 12/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC8 Q9BY41 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
MAPT P10636 1/20 0.36
STS P08842 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
SCHEMBL30719996 0.88 MEN1 (0.43) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL30729638 0.85 TIPARP (0.46) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL29088946 0.85 TIPARP (0.46) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL24764576 0.83 TIPARP (0.54) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL29841902 0.82 SCN9A (0.43) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL24640600 0.82 TIPARP (0.40) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL26958072 0.81 SMN1; SMN2 (0.40) TIPARPSMN1; SMN2LMNA
SCHEMBL26958076 0.81 SMN1; SMN2 (0.40) TIPARPSMN1; SMN2LMNA
SCHEMBL24640582 0.80 HDAC6 (0.42) TIPARPMEN1KMT2AHDAC6HDAC8
SCHEMBL24675338 0.80 MEN1 (0.41) TIPARPMEN1KMT2AHDAC6HDAC8

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 TIPARP 23/4885MEN1 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.