SCHEMBL20176813

SCHEMBL20176813

CCN1CC(Oc2c(F)ccc(F)c2F)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.38
DRD4 P21917 2/20 0.35
ADRA1A P35348 1/20 0.35
SMO Q99835 1/20 0.35
GRIN1 Q05586 4/20 0.33
GRIN2B Q13224 4/20 0.33
P2RX7 Q99572 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC6A2 P23975 2/20 0.30
HTR1A P08908 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
Oxalic Acid SCHEMBL20165869 0.91 CYP3A4 (0.38) SLC6A4DRD4ADRA1ASMOGRIN1
SCHEMBL20165476 0.87 SLC6A4 (0.40) SLC6A4DRD4ADRA1ASMOHRH3
SCHEMBL20165883 0.85 SLC6A4 (0.39) SLC6A4DRD4ADRA1ASMO
Hydrochloric Acid SCHEMBL20168896 0.83 SLC6A4 (0.38) SLC6A4DRD4ADRA1ASMO
SCHEMBL20165493 0.82 SLC6A4 (0.45) SLC6A4DRD4GRIN1GRIN2BSLC6A2
SCHEMBL20165929 0.82 SLC6A4 (0.38) SLC6A4DRD4ADRA1ASMOKDM4E
SCHEMBL20176394 0.81 SLC6A4 (0.36) SLC6A4SLC6A2HTR1A
SCHEMBL20176569 0.80 SLC6A4 (0.36) SLC6A4
SCHEMBL13940565 0.79 GRIN1 (0.46) SLC6A4GRIN1GRIN2BHRH3
SCHEMBL20166160 0.78 SLC6A4 (0.41) SLC6A4DRD4ADRA1ASMOGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 64/4885DRD4 45/4885ADRA1A 11/4885

“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.