SCHEMBL20176532

SCHEMBL20176532

BC(B)(B)N1CC(Oc2cccc(F)c2F)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 9/20 0.55
SLC6A3 Q01959 5/20 0.55
SLC6A4 P31645 3/20 0.55
GRIN1 Q05586 3/20 0.38
GRIN2B Q13224 3/20 0.38
CHRM3 P20309 1/20 0.38
HTR1A P08908 7/20 0.36
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
OXTR P30559 1/20 0.32
TYRO3 Q06418 1/20 0.31

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
SCHEMBL20176885 0.88 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL20165881 0.79 SLC6A4 (0.60) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL20176372 0.78 SLC6A4 (0.36) SLC6A2SLC6A3SLC6A4OXTR
SCHEMBL24180233 0.76 SLC6A2 (0.70) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL20176375 0.75 SLC6A4 (0.55) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL22817806 0.75 SLC6A2 (0.55) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL3117365 0.71 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL20176345 0.71 SLC6A2 (1.00) SLC6A2SLC6A3SLC6A4HTR1A
SCHEMBL28422963 0.71 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4GRIN1GRIN2B
SCHEMBL20165809 0.71 SLC6A2 (0.47) SLC6A2SLC6A3SLC6A4OXTR

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 3 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
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 SLC6A2 21/4885SLC6A3 15/4885SLC6A4 64/4885

“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.