SCHEMBL339482

SCHEMBL339482

COc1cccc(Cl)c1-c1cccc2c1CCC(CN)C2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.54
HTR1A P08908 5/20 0.54
CYP19A1 P11511 1/20 0.46
DRD3 P35462 6/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
SIGMAR1 Q99720 1/20 0.42
DRD4 P21917 4/20 0.42
HTR7 P34969 3/20 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
SCHEMBL338704 0.88 HTR1A (0.46) DRD2HTR1ACYP19A1HTR7
SCHEMBL338362 0.84 DRD2 (0.55) DRD2HTR1ACYP19A1DRD3CHRM2
SCHEMBL9365199 0.82 DRD2 (0.66) DRD2CYP19A1DRD3CHRM2CHRM1
Hydrochloric Acid SCHEMBL9688990 0.81 DRD2 (0.64) DRD2CYP19A1DRD3CHRM2CHRM1
SCHEMBL3320346 0.80 HTR1A (0.84) DRD2HTR1ADRD3CHRM2CHRM1
SCHEMBL339483 0.80 DRD2 (0.68) DRD2HTR1ADRD3DRD4HTR7
SCHEMBL8970384 0.76 CHRM2 (0.60) DRD2HTR1ACYP19A1DRD3CHRM2
SCHEMBL339048 0.75 DRD2 (0.48) DRD2HTR1ADRD3HTR7
Hydrochloric Acid SCHEMBL9688982 0.74 CHRM2 (0.59) DRD2HTR1ACYP19A1DRD3CHRM2
SCHEMBL338365 0.73 CYP19A1 (0.47) DRD2HTR1ACYP19A1DRD3CHRM2

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 DRD2 264/4885HTR1A 4/4885CYP19A1 480/4885

“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.