SCHEMBL5530756

SCHEMBL5530756

c1ccc2c(CCC3CCC(CCNCCC4CCC(CCc5cccc6ccccc56)O4)O3)cccc2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.72
SLC6A2 P23975 3/20 0.72
SLC18A2 Q05940 1/20 0.48
MTNR1A P48039 2/20 0.41
NQO2 P16083 1/20 0.41
HPGD P15428 1/20 0.40
SLC6A3 Q01959 2/20 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
SCHEMBL14949871 0.91 SLC6A4 (0.62) SLC6A4SLC6A2SLC18A2MTNR1ANQO2
SCHEMBL4615998 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC18A2SLC6A3
SCHEMBL4616463 0.84 SLC6A4 (0.84) SLC6A4SLC6A2SLC18A2SLC6A3
SCHEMBL2689256 0.84 SLC6A4 (0.84) SLC6A4SLC6A2SLC18A2SLC6A3
SCHEMBL4615995 0.84 SLC6A4 (1.00) SLC6A4SLC6A2SLC18A2SLC6A3
SCHEMBL8267196 0.83 SLC6A4 (0.69) SLC6A4SLC6A2SLC18A2MTNR1ANQO2
SCHEMBL7050745 0.77 SLC6A2 (0.63) SLC6A4SLC6A2SLC18A2MTNR1ANQO2
SCHEMBL5530774 0.76 SLC6A4 (0.77) SLC6A4SLC6A2SLC6A3
SCHEMBL5534081 0.75 SLC6A2 (0.68) SLC6A4SLC6A2SLC6A3
SCHEMBL8794788 0.74 HPGD (0.64) MTNR1ANQO2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080261967-A1 Modulators of Central Nervous System Neurotransmitters GAP43, SLC18A2, CHRNA6 SLC6A4 104/4885SLC6A2 47/4885SLC18A2 2/4885

“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.