SCHEMBL3217014

SCHEMBL3217014

O=C(O)N[C@H]1CCc2c(O)cccc2C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.72
CA2 P00918 4/20 0.72
ACHE P22303 4/20 0.72
DRD2 P14416 5/20 0.58
DRD3 P35462 5/20 0.58
DRD4 P21917 4/20 0.58
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
HTR1A P08908 1/20 0.45
DRD1 P21728 1/20 0.45
DRD5 P21918 1/20 0.45
HTR7 P34969 1/20 0.45
ADRB2 P07550 1/20 0.45
CYP19A1 P11511 1/20 0.44
CHRM3 P20309 1/20 0.43

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
SCHEMBL10357546 0.87 CA1 (0.75) CA1CA2ACHEDRD2DRD3
SCHEMBL2953314 0.81 DRD2 (0.64) CA1CA2ACHEDRD2DRD3
SCHEMBL14360233 0.80 DRD2 (0.67) CA1CA2ACHEDRD2DRD3
SCHEMBL9851515 0.79 MTNR1A (0.73) CA1CA2MTNR1AMTNR1B
SCHEMBL30612411 0.79 MTNR1A (0.73) CA1CA2MTNR1AMTNR1B
SCHEMBL2955058 0.77 DRD2 (0.63) CA1CA2ACHEDRD2DRD3
SCHEMBL10694138 0.76 CA1 (0.65) CA1CA2ACHEDRD2DRD3
SCHEMBL14360258 0.76 DRD2 (0.79) CA1CA2ACHEDRD2DRD3
SCHEMBL10043005 0.75 DRD2 (0.71) CA1CA2ACHEDRD2DRD3
SCHEMBL11960199 0.75 DRD2 (0.71) CA1CA2ACHEDRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-08-05 US disclosed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US disclosed
EP-2148674-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-02-03 EP disclosed
WO-2008145335-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-04 WO disclosed
EP-1997493-A1 Combination of a 5-HT7 receptor ligand and an opioid receptor ligand Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
EP-1956006-A1 Heterocyclyl-substituted-tetrahydro-naphthalen derivatives as 5-HT7 receptor ligands Laboratorios del Dr. Esteve S.A. (ES) 2008-08-13 EP 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-20100197717-A1 COMBINATION OF A 5HT7 RECEPTOR LIGAND AND AN OPIOID RECEPTOR LIGAND OPRL1, OPRM1, OPRK1 CA1 3995/4885CA2 3829/4885ACHE 378/4885
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS HTR7, HTR2C, HTR6 CA1 3900/4885CA2 4754/4885ACHE 1909/4885

“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.