SCHEMBL822940

SCHEMBL822940

CN(C)[C@H]1CCc2ccccc2C1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.61
DRD2 P14416 3/20 0.61
DRD4 P21917 2/20 0.61
DRD3 P35462 2/20 0.61
CHRM3 P20309 2/20 0.59
HTR7 P34969 9/20 0.58
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
DRD1 P21728 1/20 0.56

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
SCHEMBL1950024 1.00 HTR1A (0.61) HTR1ADRD2DRD4DRD3CHRM3
SCHEMBL823058 1.00 HTR1A (0.61) HTR1ADRD2DRD4DRD3CHRM3
SCHEMBL29507805 1.00 HTR1A (0.61) HTR1ADRD2DRD4DRD3CHRM3
Hydrochloric Acid SCHEMBL29064497 0.98 HTR1A (0.59) HTR1ADRD2DRD4DRD3CHRM3
SCHEMBL29236103 0.94 HTR1A (0.58) HTR1ADRD2DRD4DRD3CHRM3
SCHEMBL11636988 0.89 SIGMAR1 (0.56) HTR1ADRD2DRD4DRD3CHRM3
SCHEMBL2248107 0.84 DRD3 (0.54) HTR1ADRD3HTR7
SCHEMBL31808827 0.84 DRD3 (0.54) HTR1ADRD3HTR7
Bromide SCHEMBL29349994 0.82 HTR1A (0.56) HTR1ADRD2DRD4DRD3CHRM3
SCHEMBL12125968 0.81 DRD3 (0.65) HTR1ADRD2DRD4DRD3

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
US-8053603-B2 Tetralone-based monoamine reuptake inhibitors SUNOVION PHARMACEUTICALS INC. (US) 2011-11-08 US disclosed
EP-2049090-B1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN ESTEVE LABOR DR (ES) 2011-10-05 EP 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
EP-2049090-A1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN Laboratorios Del. Dr. Esteve, S.A. (ES) 2009-04-22 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
WO-2008000495-A1 USE OF 5-HT7 RECEPTOR AGONISTS FOR THE TREATMENT OF PAIN LABORATORIOS DEL DR. ESTEVE, S.A (ES) 2008-01-03 WO disclosed
US-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SEPRACOR INC. (US) 2007-08-23 US 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 (3 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 HTR1A 13/4885DRD2 409/4885DRD4 883/4885
US-20070197588-A1 Tetralone-based monoamine reuptake inhibitors SLC18A2, SLC6A2, SLC6A3 HTR1A 33/4885DRD2 112/4885DRD4 143/4885
US-20090326014-A1 Use of 5-ht7 receptor agonists for the treatment of pain HTR7, HTR1A, OPRL1 HTR1A 2/4885DRD2 200/4885DRD4 305/4885

“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.