SCHEMBL13731108

SCHEMBL13731108

CS(=O)(=O)c1cc(F)cc(OCCN2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.51
▸ KCNH2 Q12809 3/20 0.51
▸ LTA4H P09960 2/20 0.48
▸ FLT3 P36888 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ ESR2 Q92731 1/20 0.44
▸ PSMB1 P20618 4/20 0.44
▸ PSMB5 P28074 4/20 0.44
▸ PSMB2 P49721 3/20 0.44
▸ MCHR1 Q99705 1/20 0.44

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
SCHEMBL13732452 0.96 HRH3 (0.47) HRH3KCNH2LTA4HFLT3KDM4E
SCHEMBL13589529 0.77 HRH3 (0.73) HRH3KCNH2LTA4HKDM4EPSMB1
SCHEMBL17571469 0.77 KDM4E (0.56) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL13731094 0.76 LOX (0.39) —
SCHEMBL13730672 0.76 EPAS1 (0.38) —
SCHEMBL18474533 0.75 KDM4E (0.63) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL18480195 0.75 LTA4H (0.55) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL18474438 0.75 LTA4H (0.55) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL17555438 0.75 LTA4H (0.55) HRH3LTA4HKDM4EPSMB1PSMB5
SCHEMBL17562439 0.74 KDM4E (0.63) LTA4HFLT3KDM4EPSMB1PSMB5

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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