SCHEMBL2469726

SCHEMBL2469726

CN(C)CCSc1cccc(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 1.00
HTR1A P08908 7/20 1.00
HTR2A P28223 6/20 1.00
DRD2 P14416 3/20 1.00
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
THRB P10828 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL12796678 0.79 HTR7 (0.65) HTR7HTR1AHTR2ADRD2SMN1; SMN2
SCHEMBL2297589 0.78 HTR7 (0.64) HTR7HTR1AHTR2ADRD2SMN1; SMN2
SCHEMBL27735646 0.72 MEN1 (0.60) HTR7HTR1AHTR2ADRD2MEN1
SCHEMBL2952863 0.72 HTR7 (0.55) HTR7HTR1AHTR2ADRD2SMN1; SMN2
SCHEMBL2952338 0.72 HTR7 (0.60) HTR7HTR1AHTR2ADRD2SMN1; SMN2
SCHEMBL13199785 0.72 HTR7 (0.60) HTR7HTR1AHTR2ADRD2
SCHEMBL9399130 0.69 HSD17B10 (0.52) HTR7HTR1AHTR2ADRD2MEN1
SCHEMBL15210977 0.68 HTR7 (0.51) HTR7HTR1AHTR2ADRD2MEN1
SCHEMBL6600143 0.68 HTR7 (0.54) HTR7HTR1AHTR2ADRD2
SCHEMBL5174350 0.68 ALDH1A1 (0.61) HTR7HTR1AHTR2ADRD2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049090-B1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN ESTEVE LABOR DR (ES) 2011-10-05 EP disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-07-28 US disclosed
US-20110124657-A1 METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-05-26 US disclosed
US-20110124657-A1 METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2011-05-26 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
WO-2010012811-A2 METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2010-02-04 WO disclosed
US-20090326014-A1 Use of 5-ht7 receptor agonists for the treatment of pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2009-12-31 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
EP-1875899-A1 Use of 5HT7 receptor agonists for the treatment of pain LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-01-09 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 (4 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 8/4885HTR2A 17/4885
US-20110183991-A1 5HT7 RECEPTOR LIGANDS AND COMPOSITIONS COMPRISING THE SAME HTR7, HTR1A, HTR6 HTR7 1/4885HTR1A 2/4885HTR2A 11/4885
US-20110124657-A1 METHOD FOR SCREENING OF 5HT7 RECEPTOR LIGANDS BASED ON A NEW PHARMACOPHORE MODEL AND A DESCRIPTOR'S PROFILE FILTER HTR7, HTR1A, HTR2C HTR7 1/4885HTR1A 2/4885HTR2A 10/4885
US-20090326014-A1 Use of 5-ht7 receptor agonists for the treatment of pain HTR7, HTR1A, OPRL1 HTR7 1/4885HTR1A 2/4885HTR2A 9/4885

“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.