SCHEMBL20176333

SCHEMBL20176333

CN1CC(Oc2cc(F)cc(F)c2)C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
CHRM3 P20309 1/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
ADORA2A P29274 3/20 0.35
SCN9A Q15858 1/20 0.34
EPHX2 P34913 1/20 0.34
RIPK1 Q13546 1/20 0.34

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
SCHEMBL17123796 0.82 SLC6A4 (0.54) SLC6A4HTR2CHTR2BSLC6A2SLC6A3
SCHEMBL6124978 0.81 HRH3 (0.50) HTR2CHTR2BADORA2A
SCHEMBL20158537 0.80 GRIN1 (0.44) GRIN1GRIN2B
SCHEMBL20447842 0.80 SLC6A4 (0.44) SLC6A4CHRM3GRIN1GRIN2B
SCHEMBL10078847 0.80 HTR2C (0.47) SLC6A4HTR2CHTR2BGRIN1GRIN2B
SCHEMBL20068829 0.80 SLC6A2 (0.36) SLC6A4CHRM3SLC6A2SLC6A3GRIN1
SCHEMBL20165492 0.79 SLC6A4 (0.42) SLC6A4CHRM3SLC6A2SLC6A3GRIN1
SCHEMBL20147404 0.79 SLC6A4 (0.40) SLC6A4GRIN1GRIN2B
SCHEMBL3037790 0.76 EPHX2 (0.48) SLC6A4SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL19083886 0.76 SLC6A4 (0.41) SLC6A4HTR2CHTR2BCHRM3SLC6A2

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 11 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-01-05 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
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 (2 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-10881652-B2 Substituted pyrazolo[1,5-A]pyridine compounds as RET kinase inhibitors RET, BRAF, RAF1 SLC6A4 3586/4885HTR2C 3701/4885HTR2B 3567/4885
US-10875829-B1 Azetidine derivatives useful as modulators of cortical catecholaminergic neurotransmission SLC18A1, CHRM1, CHRM2 SLC6A4 64/4885HTR2C 144/4885HTR2B 89/4885

“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.