SCHEMBL2229919

SCHEMBL2229919

O=C(N[C@@H]1CN2CCC1CC2)c1ccc(-c2cccc(F)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 12/20 0.60
HTR3E A5X5Y0 4/20 0.60
HTR3B O95264 4/20 0.60
HTR3A P46098 4/20 0.60
HTR3D Q70Z44 4/20 0.60
HTR3C Q8WXA8 4/20 0.60
ALOX15 P16050 1/20 0.60
TSHR P16473 1/20 0.60
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
CYP2D6 P10635 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55

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
SCHEMBL2229923 1.00 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4201780 0.92 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4201779 0.92 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4198180 0.88 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL4198182 0.88 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3500036 0.88 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3497048 0.88 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3497046 0.88 CHRNA7 (0.69) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL9597197 0.87 CHRNA7 (0.60) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2230266 0.86 CHRNA7 (0.74) CHRNA7HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-8435762-B2 Chimeric ligand-gated ion channels and methods of use thereof HOWARD HUGHES MEDICAL INSTITUTE (US) 2013-05-07 US 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
US-20100130420-A1 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-05-27 US 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
WO-2010042799-A2 NOVEL CHIMERIC LIGAND-GATED ION CHANNELS AND METHODS OF USE THEREOF HOWARD HUGHES MEDICAL INSTITUTE (US) 2010-04-15 WO 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 CHRNA7 1/4885HTR3E 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.