SCHEMBL18249644

SCHEMBL18249644

O=C(O)N1CC(C(O)c2ccc(F)cc2F)C1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.44
CES1 P23141 3/20 0.44
PDE2A O00408 1/20 0.42
CPS1 P31327 2/20 0.36
OPRM1 P35372 1/20 0.35
GRIN2B Q13224 1/20 0.34
DPP4 P27487 5/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 2/20 0.34
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
GPR6 P46095 1/20 0.33
HSD11B1 P28845 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL20164081 0.85 GPR6 (0.41) CES2CES1GPR6
SCHEMBL18249647 0.82 HDAC1 (0.39) DPP4GPR6
SCHEMBL18249588 0.82 CES2 (0.44) CES2CES1PDE2ADPP4DPP8
SCHEMBL18250064 0.81 CES2 (0.43) CES2CES1PDE2ADPP4DPP7
SCHEMBL20164096 0.80 GPR119 (0.45) PDE2ADPP4
SCHEMBL18249569 0.80 CES2 (0.31) CES2CES1
SCHEMBL23212076 0.78 CYP2D6 (0.45) DPP4DPP9DPP7
SCHEMBL1349204 0.77 PDE2A (0.65) CES2CES1PDE2APTGS1PTGS2
SCHEMBL20164102 0.77 CES2 (0.44) CES2CES1DPP4DPP7
SCHEMBL18249584 0.75 CES2 (0.40) CES2CES1OPRM1DPP4DPP8

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-113302183-A Cyclic ureas 圣瑞诺有限公司 2021-08-24 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 CES2 233/4885CES1 2329/4885PDE2A 124/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 CES2 166/4885CES1 2533/4885PDE2A 165/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 CES2 161/4885CES1 2089/4885PDE2A 97/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 CES2 254/4885CES1 2957/4885PDE2A 151/4885

“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.