SCHEMBL20165476

SCHEMBL20165476

CCCN1CC(Oc2c(F)ccc(F)c2F)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.40
DRD3 P35462 5/20 0.39
ESR1 P03372 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
DRD4 P21917 4/20 0.34
ADRA1A P35348 1/20 0.34
SMO Q99835 1/20 0.34
DRD2 P14416 4/20 0.33
DRD1 P21728 3/20 0.33
DRD5 P21918 3/20 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
SCHEMBL20176813 0.87 SLC6A4 (0.38) SLC6A4HRH3DRD4ADRA1ASMO
SCHEMBL20176394 0.82 SLC6A4 (0.36) SLC6A4
Oxalic Acid SCHEMBL20165869 0.80 CYP3A4 (0.38) SLC6A4DRD4ADRA1ASMO
SCHEMBL20439345 0.77 SLC6A4 (0.47) SLC6A4DRD3ESR1DRD4DRD2
SCHEMBL30357901 0.74 SLC6A2 (0.30) SLC6A4
SCHEMBL6929073 0.72 HRH3 (0.49) SLC6A4ESR1HRH3DRD2
SCHEMBL20165883 0.72 SLC6A4 (0.39) SLC6A4DRD4ADRA1ASMO
Hydrochloric Acid SCHEMBL20168896 0.71 SLC6A4 (0.38) SLC6A4DRD4ADRA1ASMO
SCHEMBL20176912 0.71 SLC6A2 (0.30)
SCHEMBL20447842 0.71 SLC6A4 (0.44) SLC6A4ESR1HRH3DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541784-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2019-09-25 EP claimed
WO-2018091687-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 WO claimed
EP-3541784-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2023-09-13 EP disclosed
EP-3541784-B1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RES LABORATORIES SWEDEN AB (SE) 2023-09-13 EP disclosed
CN-109963834-B Novel azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission 综合研究实验室瑞典股份公司 2023-04-14 CN disclosed
US-10875829-B1 Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2020-12-29 US disclosed
US-10875829-B1 Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2020-12-29 US disclosed
EP-3541784-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2019-09-25 EP disclosed
WO-2018091687-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 WO disclosed
WO-2018091687-A1 NOVEL AZETIDINE DERIVATIVES USEFUL AS MODULATORS OF CORTICAL CATECHOLAMINERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2018-05-24 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 (1 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-10875829-B1 Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission SLC18A1, CHRM1, CHRM2 SLC6A4 64/4885DRD3 39/4885ESR1 1949/4885

“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.