SCHEMBL5530774

SCHEMBL5530774

COc1ccc2ccccc2c1CCC1CCC(CCNCCC2CCC(CCc3c(OC)ccc4ccccc34)O2)O1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.77
KMT2A Q03164 4/20 0.49
POLB P06746 1/20 0.49
MEN1 O00255 3/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A3 Q01959 1/20 0.46
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4614928 0.87 SLC6A4 (1.00) SLC6A4KMT2AMEN1SLC6A2SLC6A3
SCHEMBL4614922 0.87 SLC6A4 (1.00) SLC6A4KMT2AMEN1SLC6A2SLC6A3
SCHEMBL4617393 0.87 SLC6A4 (0.86) SLC6A4SLC6A2SLC6A3
SCHEMBL5530785 0.81 SLC6A4 (0.76) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL5530756 0.76 SLC6A4 (0.72) SLC6A4SLC6A2SLC6A3
SCHEMBL5530726 0.72 SLC6A4 (0.84) SLC6A4SLC6A2SLC6A3
SCHEMBL28387488 0.70 NCEH1 (0.60) SLC6A4KMT2APOLBMEN1SMN1; SMN2
SCHEMBL8989464 0.70 MTNR1A (0.58)
SCHEMBL23023188 0.69 KMT2A (0.78) KMT2APOLBMEN1KDM1AMAOA
SCHEMBL9289234 0.69 NCEH1 (0.57) SLC6A4KMT2APOLBMEN1

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 SLC6A4 104/4885KMT2A 3528/4885POLB 4451/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC6A4 104/4885KMT2A 3528/4885POLB 4451/4885

“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.