SCHEMBL20176372

SCHEMBL20176372

BC(B)(B)N1CC(Oc2cc(F)cc(F)c2F)C1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.36
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
OXTR P30559 2/20 0.31
KDM1A O60341 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
SCHEMBL20176377 0.88 SLC6A4 (0.35) SLC6A4OXTR
SCHEMBL20176555 0.79
SCHEMBL20166170 0.79 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3OXTRKDM1A
SCHEMBL20176532 0.78 SLC6A2 (0.55) SLC6A4SLC6A2SLC6A3OXTR
SCHEMBL20176677 0.77 CHRM3 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL20176299 0.75 SLC6A4 (0.47) SLC6A4OXTRKDM1A
SCHEMBL22817831 0.75 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3OXTRKDM1A
SCHEMBL20165480 0.74 OXTR (0.41) OXTRKDM1A
SCHEMBL20165487 0.71 SLC6A4 (0.59) SLC6A4SLC6A2SLC6A3
SCHEMBL20176912 0.71 SLC6A2 (0.30) SLC6A2

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

“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.