SCHEMBL2228533

SCHEMBL2228533

COc1ccc(Cl)cc1C(=O)NC1CN2CCC1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.69
HTR3E A5X5Y0 3/20 0.69
HTR3B O95264 3/20 0.69
HTR3D Q70Z44 3/20 0.69
HTR3C Q8WXA8 3/20 0.69
HTR5A P47898 1/20 0.69
MEN1 O00255 1/20 0.69
CYP2D6 P10635 1/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
KMT2A Q03164 1/20 0.69
MAPK1 P28482 1/20 0.67
CHRNA7 P36544 3/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60

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
SCHEMBL2228529 1.00 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7292105 1.00 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229544 0.91 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229542 0.91 HTR3A (0.69) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2231269 0.88 HTR3A (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2231273 0.88 HTR3A (0.65) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229332 0.87 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229328 0.87 HTR3A (0.64) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229554 0.86 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2229547 0.86 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0278173-B1 Use of heterocyclic derivatives in the treatment of depressions GLAXO GROUP LTD (GB) 1993-11-03 EP claimed
EP-0450757-A2 Use of 5-hydroxytryptamine-antagonists in the treatment of mental disorders originating in childhood GLAXO GROUP LIMITED (GB) 1991-10-09 EP claimed
EP-0278173-A2 Use of heterocyclic derivatives in the treatment of depressions GLAXO GROUP LIMITED (GB) 1988-08-17 EP claimed
EP-2344636-B1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HUGHES HOWARD MED INST (US) 2017-12-06 EP disclosed
EP-2344636-B1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HUGHES HOWARD MED INST (US) 2017-12-06 EP disclosed
US-8435762-B2 Chimeric ligand-gated ion channels and methods of use thereof HOWARD HUGHES MEDICAL INSTITUTE (US) 2013-05-07 US disclosed
EP-2344636-A2 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF Howard Hughes Medical Institute (US) 2011-07-20 EP disclosed
US-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-05-27 US disclosed
WO-2010042799-A2 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-04-15 WO disclosed
EP-0278173-B1 Use of heterocyclic derivatives in the treatment of depressions GLAXO GROUP LTD (GB) 1993-11-03 EP disclosed
EP-0272876-B1 USE OF HETEROCYCLIC DERIVATIVES FOR THE MANUFACTURE OF MEDICAMENTS GLAXO GROUP LIMITED (GB) 1993-10-13 EP disclosed
EP-0433043-A1 Medicaments GLAXO GROUP LIMITED (GB) 1991-06-19 EP disclosed
US-5025022-A Method of treating or preventing schizophrenia and/or psychosis using S-N-(1-azabicyclo[2.2.2]oct-3-yl)benzamides and thiobenzamides A.H. ROBINS COMPANY, INCORPORATED A VA CORPORATION 1991-06-18 US disclosed
US-5017580-A Memory enhancing-R-N-(1-azabicyclo[2.2.2.]oct-3-yl)benzamides and thiobenzamides A.H. ROBINS COMPANY, INCORPORATED A VA CORPORATION 1991-05-21 US disclosed
EP-0353372-A1 Antischizophrenic-S-N-(1-azabicyclo[2.2.2.]oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1990-02-07 EP disclosed
EP-0353371-A1 Memory enhancing-R-N-(1-azabicyclo[2.2.2] oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1990-02-07 EP disclosed
EP-0311724-A1 Anxiolytic-R-N-(1-azabicyclo[2.2.2]oct-3-yl) benzamides and thiobenzamides SYNTHELABO (FR) 1989-04-19 EP disclosed
EP-0278173-A2 Use of heterocyclic derivatives in the treatment of depressions GLAXO GROUP LIMITED (GB) 1988-08-17 EP disclosed
EP-0275669-A1 Use of heterocyclic derivatives for the manufacture of medicaments GLAXO GROUP LIMITED (GB) 1988-07-27 EP disclosed
EP-0272876-A2 Use of heterocyclic derivatives for the manufacture of medicaments GLAXO GROUP LIMITED (GB) 1988-06-29 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 (1 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-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA4 HTR3A 571/4885HTR3E 633/4885HTR3B 473/4885

“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.