SCHEMBL5534102

SCHEMBL5534102

c1cc(CCC2CCC(CCNCCC3CCC(CCc4ccncc4)O3)O2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.48
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 4/20 0.47
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.36
HRH1 P35367 2/20 0.36
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL5534081 0.83 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3
SCHEMBL2704071 0.82 SLC6A2 (0.71) SLC6A2SLC6A4SLC6A3LOXL2HRH1
SCHEMBL2698801 0.82 SLC6A4 (0.67) SLC6A2SLC6A4SLC6A3LOXL2HRH1
SCHEMBL5536195 0.82 SLC6A2 (0.72) SLC6A2SLC6A4SLC6A3HRH1
SCHEMBL5536134 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3
SCHEMBL5534839 0.73 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL5532176 0.72 SLC6A2 (0.75) SLC6A2SLC6A4SLC6A3HDAC2HDAC8
SCHEMBL7360165 0.70 LOXL2 (0.54) LOXL2HRH1HDAC2HDAC8HDAC6
SCHEMBL8320959 0.70 SMN1; SMN2 (0.49) CYP19A1LOXL2HRH3
SCHEMBL5534087 0.70 SLC6A2 (0.68) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2013-05-16 US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-8168635-B2 2-(aminomethyl)-5-phenyltetrahydrofuran; 4-(3,4-Dimethoxyphenyl)-2-[5-(2-{5-[2-(5-fluoro-2-methoxyphenyl)-ethyl]-tetrahydrofuran-2-yl}-ethylamino)-pentyl]-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one; dual inhibitor of serotonin reuptake and phosphodiesterase 4 (PDE4) enzyme activity HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-05-01 US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 US disclosed
US-20080261967-A1 Modulators of Central Nervous System Neurotransmitters HUMAN BIOMOLECULAR RESEARCH INSTITUTE 2008-10-23 US 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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 SLC6A2 47/4885SLC6A4 104/4885SLC6A3 54/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC6A2 47/4885SLC6A4 104/4885SLC6A3 54/4885

“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.