SCHEMBL338365

SCHEMBL338365

COc1ncccc1-c1cccc2c1CCC(CN)C2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
DRD2 P14416 3/20 0.41
DRD3 P35462 1/20 0.41
SCN9A Q15858 1/20 0.41
HTR1A P08908 3/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR7 P34969 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35

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
SCHEMBL338362 0.80 DRD2 (0.55) CYP19A1DRD2DRD3HTR1ACHRM2
SCHEMBL338366 0.80 DRD2 (0.59) CYP19A1DRD2DRD3SCN9AHTR1A
SCHEMBL3312336 0.80 HTR1A (0.62) DRD2DRD3HTR1AHTR7SIGMAR1
SCHEMBL9365199 0.75 DRD2 (0.66) CYP19A1DRD2DRD3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9688990 0.74 DRD2 (0.64) CYP19A1DRD2DRD3CHRM2CHRM1
SCHEMBL339482 0.73 DRD2 (0.54) CYP19A1DRD2DRD3HTR1ACHRM2
SCHEMBL338704 0.70 HTR1A (0.46) CYP19A1DRD2HTR1AHTR7
SCHEMBL339048 0.70 DRD2 (0.48) DRD2DRD3HTR1AHTR7
SCHEMBL339244 0.70 HTR1A (0.41) CYP19A1DRD2HTR1AHTR7SIGMAR1
SCHEMBL8970384 0.68 CHRM2 (0.60) CYP19A1DRD2DRD3HTR1ACHRM2

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 8 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-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

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 CYP19A1 480/4885DRD2 264/4885DRD3 370/4885

“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.