SCHEMBL2229646

SCHEMBL2229646

O=C(N[C@@H]1CN2CCC1CC2)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 7/20 0.55
HTR3E A5X5Y0 3/20 0.55
HTR3B O95264 3/20 0.55
HTR3A P46098 3/20 0.55
HTR3D Q70Z44 3/20 0.55
HTR3C Q8WXA8 3/20 0.55
ALOX15 P16050 1/20 0.55
TSHR P16473 1/20 0.55
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47

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
SCHEMBL2228496 1.00 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2228490 1.00 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6100390 0.83 CHRNA7 (0.67) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2228213 0.82 CHRNA7 (0.71) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL2228216 0.82 CHRNA7 (0.71) CHRNA7HTR3EHTR3BHTR3AHTR3D
Hydrochloric Acid SCHEMBL6100700 0.81 CHRNA7 (0.66) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6881342 0.81 LMNA (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6882115 0.81 CHRNA7 (0.62) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6101358 0.81 CHRNA7 (0.55) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL6099959 0.81 CHRNA7 (0.55) 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 10 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
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.