SCHEMBL338366

SCHEMBL338366

CNC1CCc2c(cccc2-c2cccnc2OC)C1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.59
DRD3 P35462 5/20 0.59
DRD4 P21917 3/20 0.59
SCN9A Q15858 1/20 0.43
HTR1A P08908 3/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ACHE P22303 2/20 0.40
CYP19A1 P11511 1/20 0.38
HTR7 P34969 1/20 0.37
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL3312336 0.81 HTR1A (0.62) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL338363 0.80 DRD2 (0.77) DRD2DRD3DRD4HTR1AMTNR1A
SCHEMBL338365 0.80 CYP19A1 (0.47) DRD2DRD3SCN9AHTR1APSEN1
SCHEMBL8044481 0.74 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8044484 0.74 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL8044480 0.74 DRD2 (1.00) DRD2DRD3DRD4MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL10849302 0.73 DRD2 (0.97) DRD2DRD3DRD4MTNR1AMTNR1B
SCHEMBL17286215 0.72 HTR7 (0.53) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL339483 0.72 DRD2 (0.68) DRD2DRD3DRD4HTR1AMTNR1A
SCHEMBL339049 0.71 DRD2 (0.56) DRD2DRD3DRD4HTR1AHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US claimed
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US claimed
EP-2114893-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP claimed
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 WO claimed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 US disclosed
US-8097641-B2 Heterocyclyl substituted tetrahydronaphthalene derivatives as 5-HT7 receptor ligands LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-01-17 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
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 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-2114893-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-11-11 EP disclosed
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 WO disclosed
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 WO 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-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS HTR7, HTR2C, HTR6 DRD2 264/4885DRD3 370/4885DRD4 335/4885

“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.