SCHEMBL3340335

SCHEMBL3340335

CCN(CC)CCc1cccc(-c2ccccc2OC)c1

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 11/20 0.75
HTR1A P08908 5/20 0.64
HTR2B P41595 4/20 0.64
HTR5A P47898 4/20 0.64
HTR1D P28221 3/20 0.64
HTR1B P28222 3/20 0.64
HTR2A P28223 3/20 0.64
HTR1E P28566 2/20 0.64
BCHE P06276 2/20 0.48
FFAR1 O14842 2/20 0.47
HTR6 P50406 2/20 0.47
HTR2C P28335 1/20 0.47
ACHE P22303 2/20 0.46
CASR P41180 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL3337267 0.90 HTR7 (0.73) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL3338568 0.86 HTR7 (1.00) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL3341529 0.86 HTR7 (0.74) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL12881923 0.84 HTR7 (0.71) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL22398944 0.81 HTR7 (0.71) HTR7HTR1AFFAR1CASRDRD2
SCHEMBL12806502 0.81 HTR7 (0.69) HTR7HTR1AFFAR1CASRDRD2
SCHEMBL9230739 0.80 HTR7 (0.69) HTR7HTR1AFFAR1CASRDRD2
SCHEMBL2934073 0.79 HTR7 (0.72) HTR7HTR1AFFAR1CASRDRD2
SCHEMBL3338228 0.77 HTR7 (0.74) HTR7HTR1AHTR2BHTR5AHTR1D
SCHEMBL10287112 0.77 HTR7 (0.66) HTR7HTR1AFFAR1CASRDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2676954-A1 Heterocyclyl-substituted-phenyl derivatives as vasodilators Laboratorios del Dr. Esteve S.A. (ES) 2013-12-25 EP claimed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US claimed
EP-2114894-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-11 EP claimed
EP-1997807-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP claimed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO claimed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP claimed
EP-2676954-A1 Heterocyclyl-substituted-phenyl derivatives as vasodilators Laboratorios del Dr. Esteve S.A. (ES) 2013-12-25 EP 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-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments LABORATORIOS DEL DR. ESTEVE,S.A. (ES) 2010-06-17 US disclosed
EP-2114894-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-11-11 EP 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
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
EP-1997807-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
EP-1997807-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-12-03 EP disclosed
WO-2008077625-A1 HETEROCYCLYL-SUBSTITUTED-EHYLAMINO-PHENYL DERIVATIVES, THEIR PREPARATION AND USE AS MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-07-03 WO disclosed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 EP disclosed
EP-1935886-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments Laboratorios del Dr. Esteve S.A. (ES) 2008-06-25 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 HTR7 5/4885HTR1A 8/4885HTR2B 16/4885
US-20100152252-A1 Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments PKM, PKLR, HNMT HTR7 630/4885HTR1A 1355/4885HTR2B 1768/4885

“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.