SCHEMBL20176605

SCHEMBL20176605

BC(B)(B)C(B)(B)N1CC(Oc2cc(F)cc(F)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.37
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
RIPK1 Q13546 1/20 0.31
EPHX2 P34913 1/20 0.31
LIPG Q9Y5X9 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
SCHEMBL20176677 0.86 CHRM3 (0.39) CHRM3GRIN1GRIN2BSLC6A4SLC6A2
SCHEMBL20176377 0.78 SLC6A4 (0.35) CHRM3SLC6A4
SCHEMBL20068829 0.73 SLC6A2 (0.36) CHRM3GRIN1GRIN2BSLC6A4SLC6A2
SCHEMBL20176333 0.73 SLC6A4 (0.38) CHRM3GRIN1GRIN2BSLC6A4SLC6A2
SCHEMBL13855659 0.70 MAPK14 (0.45) CHRM3SLC6A4SLC6A2SLC6A3EPHX2
SCHEMBL3037790 0.69 EPHX2 (0.48) GRIN1GRIN2BSLC6A4SLC6A2SLC6A3
SCHEMBL20147404 0.69 SLC6A4 (0.40) GRIN1GRIN2BSLC6A4
SCHEMBL20165492 0.69 SLC6A4 (0.42) CHRM3GRIN1GRIN2BSLC6A4SLC6A2
SCHEMBL20176885 0.69 SLC6A2 (0.53) CHRM3GRIN1GRIN2BSLC6A4SLC6A2
SCHEMBL20168877 0.68 RIPK1 (0.47) CHRM3GRIN1GRIN2BSLC6A4SLC6A2

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 CHRM3 20/4885GRIN1 498/4885GRIN2B 463/4885

“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.