SCHEMBL18249604

SCHEMBL18249604

CC(C)(C)OC(=O)N1CC(C(F)c2cc(F)c(F)c(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
USP30 Q70CQ3 2/20 0.42
GPR119 Q8TDV5 6/20 0.39
NR1H2 P55055 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
RORC P51449 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18249566 0.88 DPP4 (0.42) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249619 0.87 DPP4 (0.45) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249658 0.87 DPP4 (0.44) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249567 0.87 DPP4 (0.46) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL19734715 0.84 DPP4 (0.39) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249594 0.84 DPP4 (0.42) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249663 0.83 DPP4 (0.45) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249645 0.81 NR1H2 (0.42) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249632 0.80 DPP4 (0.47) DPP4USP30GPR119NR1H2HDAC1
SCHEMBL18249595 0.80 GPR119 (0.47) DPP4USP30GPR119NR1H2HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107646031-B Azetidine derivatives as modulators of cortical catecholaminergic neurotransmission 综合研究实验室瑞典股份公司 2020-11-17 CN disclosed
EP-3297987-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2019-05-15 EP disclosed
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES (SE) 2018-10-02 US disclosed
US-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 US disclosed
EP-3297987-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2018-03-28 EP disclosed
WO-2016185032-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2016-11-24 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-20180141903-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC18A1, SLC18A3 DPP4 4657/4885USP30 2586/4885GPR119 118/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 DPP4 4544/4885USP30 2513/4885GPR119 111/4885

“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.