SCHEMBL13732452

SCHEMBL13732452

CS(=O)(=O)c1cc(F)cc(OCCN2CCC2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ LTA4H P09960 3/20 0.46
▸ MCHR1 Q99705 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ HTR7 P34969 1/20 0.41
▸ HTR6 P50406 1/20 0.41
▸ KDM1A O60341 1/20 0.41
▸ ESR1 P03372 3/20 0.40
▸ ESR2 Q92731 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ FLT3 P36888 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13731108 0.96 HRH3 (0.51) HRH3KCNH2LTA4HMCHR1ESR1
SCHEMBL13731094 0.77 LOX (0.39) —
SCHEMBL13730672 0.77 EPAS1 (0.38) —
SCHEMBL13589529 0.76 HRH3 (0.73) HRH3KCNH2LTA4HKDM4E
SCHEMBL17571469 0.76 KDM4E (0.56) HRH3LTA4HMCHR1KDM4EALDH1A1
SCHEMBL4184854 0.75 LTA4H (0.58) HRH3KCNH2LTA4HMCHR1HTR1A
SCHEMBL4179707 0.74 DRD2 (0.53) HRH3LTA4HMCHR1HTR1ADRD2
SCHEMBL13730661 0.74 ADRB2 (0.40) HRH3KDM4EALDH1A1
SCHEMBL18474533 0.73 KDM4E (0.63) HRH3LTA4HKDM4EALDH1A1SMN1; SMN2
SCHEMBL25405123 0.73 EPAS1 (0.37) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699543-B1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2016-03-02 — — EP claimed
US-9006227-B2 Modulators of cortical dopaminergic- and NMDA-receptor-mediated glutamatergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-04-14 — — US claimed
US-20140128360-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Swenden AB (SE) 2014-05-08 — — US claimed
EP-2699543-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2014-02-26 — — EP claimed
WO-2012143337-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION NEUROSEARCH A/S (DK) 2012-10-26 — — WO claimed
EP-2699543-B1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION INTEGRATIVE RES LAB SWEDEN AB (SE) 2016-03-02 — — EP disclosed
US-9120728-B2 Modulators of cortical dopaminergic- and NMDA-receptor-mediated glutamatergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-09-01 — — US disclosed
US-20150148426-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-05-28 — — US disclosed
US-9006227-B2 Modulators of cortical dopaminergic- and NMDA-receptor-mediated glutamatergic neurotransmission INTEGRATIVE RESEARCH LABORATORIES SWEDEN AB (SE) 2015-04-14 — — US disclosed
US-20140128360-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Swenden AB (SE) 2014-05-08 — — US disclosed
EP-2699543-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION Integrative Research Laboratories Sweden AB (SE) 2014-02-26 — — EP disclosed
WO-2012143337-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION NEUROSEARCH A/S (DK) 2012-10-26 — — 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-20140128360-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION GRIN3A, GRIN1, GRIN3B HRH3 187/4885KCNH2 458/4885LTA4H 2685/4885
US-20150148426-A1 NOVEL MODULATORS OF CORTICAL DOPAMINERGIC- AND NMDA-RECEPTOR-MEDIATED GLUTAMATERGIC NEUROTRANSMISSION GRIN3A, GRIN1, GRIN3B HRH3 187/4885KCNH2 458/4885LTA4H 2685/4885

“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.

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