SCHEMBL3313069

SCHEMBL3313069

CN(C)[C@@H]1CCc2c(O)cccc2C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.77
DRD2 P14416 6/20 0.67
DRD3 P35462 6/20 0.67
DRD4 P21917 4/20 0.67
HTR1A P08908 4/20 0.67
HTR7 P34969 4/20 0.67
DRD1 P21728 1/20 0.67
DRD5 P21918 1/20 0.67
ADRB2 P07550 1/20 0.67

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
SCHEMBL339581 1.00 CHRM3 (0.77) CHRM3DRD2DRD3DRD4HTR1A
SCHEMBL3312525 1.00 CHRM3 (0.77) CHRM3DRD2DRD3DRD4HTR1A
SCHEMBL8891132 0.87 CHRM3 (1.00) CHRM3DRD2DRD3HTR1AHTR7
SCHEMBL28966833 0.84 DRD2 (0.68) DRD2DRD3DRD4HTR1AHTR7
SCHEMBL30201151 0.84 DRD2 (0.68) DRD2DRD3DRD4HTR1AHTR7
5-Oh-Dpat SCHEMBL279021 0.80 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR7
5-Oh-Dpat SCHEMBL5705486 0.80 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR7
5-Oh-Dpat SCHEMBL17446178 0.80 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR7
5-Oh-Dpat SCHEMBL29420186 0.80 DRD2 (1.00) DRD2DRD3DRD4HTR1AHTR7
5-Oh-Dpat SCHEMBL30201073 0.80 DRD2 (1.00) 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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 US disclosed
US-8236845-B2 Heterocyclyl-substituted-tetrahydro-naphthalen-amine derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2012-08-07 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-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-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-04-29 US disclosed
EP-2142511-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS Laboratorios Del. Dr. Esteve, S.A. (ES) 2010-01-13 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
WO-2008116663-A2 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-10-02 WO disclosed
EP-1975161-A1 Heterocyclyl-substituted- tetrahydro-napthalen-amine derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-10-01 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 CHRM3 57/4885DRD2 184/4885DRD3 240/4885
US-20100105684-A1 HETEROCYCLYL-SUBSTITUTED-TETRAHYDRO-NAPHTHALEN-AMINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS HNMT, NNT, NQO1 CHRM3 1183/4885DRD2 1527/4885DRD3 1739/4885

“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.