SCHEMBL20439098

SCHEMBL20439098

CC(C)(C)OC(=O)N1CCC(c2ccc(F)c(F)c2)[C@@H](N)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
PDE4B Q07343 3/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
TACR1 P25103 1/20 0.43
GPR119 Q8TDV5 3/20 0.43
TACR3 P29371 1/20 0.42
RORC P51449 1/20 0.41
SCN9A Q15858 1/20 0.41

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
SCHEMBL20439028 1.00 DPP4 (0.49) DPP4PDE4BADAMTS5HDAC1HDAC2
SCHEMBL20439038 1.00 DPP4 (0.49) DPP4PDE4BADAMTS5HDAC1HDAC2
SCHEMBL19271046 1.00 DPP4 (0.49) DPP4PDE4BADAMTS5HDAC1HDAC2
SCHEMBL15194142 0.91 DPP4 (0.45) DPP4PDE4BHDAC1HDAC2TACR1
SCHEMBL15054466 0.90 TACR3 (0.51) DPP4PDE4BHDAC1HDAC2TACR1
SCHEMBL15758345 0.90 DPP4 (0.44) DPP4PDE4BHDAC1HDAC2TACR1
SCHEMBL1974158 0.90 PDE4B (0.49) DPP4PDE4BHDAC1HDAC2TACR1
SCHEMBL19271002 0.90 PDE4B (0.49) DPP4PDE4BHDAC1HDAC2TACR1
SCHEMBL15055326 0.89 KDM1A (0.49) DPP4PDE4BHDAC1HDAC2TACR1
SCHEMBL22039614 0.88 DPP4 (0.48) DPP4PDE4BHDAC1HDAC2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US disclosed
WO-2018137555-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC COMPOUND DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF 浙江大学 2018-08-02 WO 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-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF BPHL, AR, FRK DPP4 4052/4885PDE4B 3151/4885ADAMTS5 3158/4885
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof AKT1, AKT2, AKT3 DPP4 4368/4885PDE4B 2775/4885ADAMTS5 3679/4885

“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.