SCHEMBL2229398

SCHEMBL2229398

COc1ncccc1C(=O)NC1CN2CCC1CC2

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
CHRNA7 P36544 2/20 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
SCHEMBL2229393 1.00 HTR3A (0.56) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL11606698 0.81 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7281094 0.81 CHRNA7 (0.64) HTR3ACHRNA7
SCHEMBL2228214 0.81 CHRNA7 (0.64) HTR3ACHRNA7
SCHEMBL2228215 0.81 CHRNA7 (0.64) HTR3ACHRNA7
Hydrochloric Acid SCHEMBL11612217 0.81 MAPK1 (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5267272 0.80 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL5270359 0.80 HTR3A (0.63) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7437115 0.78 CHRNA7 (0.62) HTR3ACHRNA7
SCHEMBL7437131 0.78 CHRNA7 (0.62) HTR3ACHRNA7

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 5 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
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

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.