SCHEMBL2702986

SCHEMBL2702986

COc1ccc2ccccc2c1C1CCC(CCN)O1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.67
SLC6A2 P23975 17/20 0.54
SLC6A3 Q01959 14/20 0.54
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL4617495 0.90 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL2689881 0.90 SLC6A4 (0.58) SLC6A4SLC6A2SLC6A3MTNR1AMTNR1B
SCHEMBL4614928 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL4614922 0.81 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL2702774 0.75 SLC6A4 (0.78) SLC6A4SLC6A2SLC6A3
SCHEMBL4617393 0.73 SLC6A4 (0.86) SLC6A4SLC6A2SLC6A3
SCHEMBL4616122 0.72 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL7094962 0.71 MAPT (0.56) SLC6A4MTNR1AMTNR1B
SCHEMBL2690111 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL4616658 0.70 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3

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 3 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-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 104/4885SLC6A2 47/4885SLC6A3 54/4885
US-20130123253-A1 MODULATORS OF CENTRAL NERVOUS SYSTEM NEUROTRANSMITTERS GAP43, SLC18A2, CHRNA6 SLC6A4 104/4885SLC6A2 47/4885SLC6A3 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.