SCHEMBL18249658

SCHEMBL18249658

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.44
USP30 Q70CQ3 2/20 0.42
MAP3K14 Q99558 2/20 0.41
GPR119 Q8TDV5 5/20 0.39
PDE4B Q07343 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 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
IDO1 P14902 1/20 0.38
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 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
SCHEMBL20164106 0.88 DPP4 (0.42) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL19734489 0.88 DPP4 (0.42) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL19734488 0.88 DPP4 (0.42) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL18249632 0.88 DPP4 (0.47) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL20164090 0.87 DPP4 (0.45) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL18249604 0.87 DPP4 (0.44) DPP4USP30GPR119KDM4EMAPT
SCHEMBL19713392 0.87 DPP4 (0.40) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL19713262 0.84 DPP4 (0.43) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL18249625 0.84 DPP4 (0.42) DPP4USP30MAP3K14GPR119PDE4B
SCHEMBL23211978 0.83 HDAC1 (0.46) DPP4USP30GPR119PDE4BMAPT

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 8 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-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2019-05-14 US disclosed
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2019-01-31 US 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 (4 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 2586/4885MAP3K14 1152/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 DPP4 4230/4885USP30 2001/4885MAP3K14 1297/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 DPP4 4544/4885USP30 2513/4885MAP3K14 1211/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 DPP4 4238/4885USP30 1969/4885MAP3K14 1147/4885

“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.