SCHEMBL10043007

SCHEMBL10043007

Oc1cccc2c1CC[C@H](NCc1ccccc1)C2

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.71
DRD3 P35462 4/20 0.71
GRIN2B Q13224 3/20 0.67
DRD4 P21917 2/20 0.65
FYN P06241 1/20 0.58
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
ACHE P22303 2/20 0.53
RB1 P06400 1/20 0.51
DRD1 P21728 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
LMNA P02545 1/20 0.48
PMP22 Q01453 1/20 0.48

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
SCHEMBL10043005 1.00 DRD2 (0.71) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL11960199 1.00 DRD2 (0.71) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL7564804 0.92 DRD2 (0.61) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL11075369 0.86 DRD2 (0.70) DRD2DRD3GRIN2BDRD4CA1
SCHEMBL7327304 0.83 DRD2 (0.71) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL10043003 0.83 DRD2 (0.71) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL11960195 0.83 DRD2 (0.71) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL10043001 0.83 DRD2 (0.71) DRD2DRD3GRIN2BDRD4FYN
SCHEMBL6535583 0.82 GRIN2B (0.69) DRD2DRD3GRIN2BDRD4
Hydrochloric Acid SCHEMBL7328243 0.82 DRD2 (0.70) DRD2DRD3GRIN2BDRD4FYN

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 10 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 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-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-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
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-11 US 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
WO-2008095689-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-08-14 WO 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 DRD2 184/4885DRD3 240/4885GRIN2B 107/4885
US-20100035936-A1 HETEROCYCLYL SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES AS 5-HT7 RECEPTOR LIGANDS HTR7, HTR2C, HTR6 DRD2 264/4885DRD3 370/4885GRIN2B 145/4885

“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.