SCHEMBL20164087

SCHEMBL20164087

O=C(O)N1CC(C(F)c2cc(F)cc(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
CES2 O00748 2/20 0.36
CES1 P23141 2/20 0.36
CCL5 P13501 2/20 0.32
CCR5 P51681 2/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CHRNA4 P43681 2/20 0.32
CACNA1B Q00975 3/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
CACNA2D1 P54289 1/20 0.30
CACNB1 Q02641 1/20 0.30
CACNA1C Q13936 1/20 0.30
NR1I2 O75469 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30
EPHX1 P07099 1/20 0.30
MGLL Q99685 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL18249654 0.85 CES2 (0.38) DPP4DPP7CES2CES1DPP9
SCHEMBL18249634 0.83 CES2 (0.32) CES2CES1
SCHEMBL18249584 0.83 CES2 (0.40) DPP4DPP7CES2CES1CCL5
SCHEMBL20164084 0.83 DPP4 (0.40) DPP4DPP7CES2CES1DPP8
SCHEMBL18249614 0.81 MAP3K14 (0.39) DPP4
SCHEMBL18249655 0.78 CES2 (0.41) DPP4DPP7CES2CES1DPP8
SCHEMBL18249566 0.78 DPP4 (0.42) DPP4
Oxalic Acid SCHEMBL18249652 0.77 CCR5 (0.36) DPP4DPP7CES2CES1CCL5
SCHEMBL18249564 0.75 CA1 (0.32)
SCHEMBL18249646 0.75 SLC6A2 (0.33) CCL5CCR5CHRNA4

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-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

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 4657/4885DPP7 4710/4885CES2 233/4885
US-10287247-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A3 DPP4 4230/4885DPP7 4551/4885CES2 166/4885
US-10087142-B2 Azetidine derivatives useful as modulators of cortical cathecolaminergic neurotransmission SLC18A2, SLC6A2, SLC18A1 DPP4 4544/4885DPP7 4568/4885CES2 161/4885
US-20190031606-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATHECOLAMINERGIC NEUROTRANSMISSION SLC18A2, SLC6A2, SLC18A3 DPP4 4238/4885DPP7 4523/4885CES2 254/4885

“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.