SCHEMBL1770867

SCHEMBL1770867

COc1ccc(C(=O)NC2CN3CCC2CC3)c(N)c1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.63
HTR3E A5X5Y0 1/20 0.63
HTR3B O95264 1/20 0.63
HTR5A P47898 1/20 0.63
HTR3D Q70Z44 1/20 0.63
HTR3C Q8WXA8 1/20 0.63
MEN1 O00255 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 1/20 0.63
MAPK1 P28482 1/20 0.61

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
SCHEMBL1568851 0.94 HTR3A (0.57) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL7280369 0.87 HTR3A (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2230474 0.87 HTR3A (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2230467 0.87 HTR3A (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
Hydrochloric Acid SCHEMBL9602943 0.86 MAPK1 (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
Hydrochloric Acid SCHEMBL7290608 0.86 MAPK1 (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
Hydrochloric Acid SCHEMBL7290599 0.86 MAPK1 (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2229332 0.85 HTR3A (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL2229328 0.85 HTR3A (0.64) HTR3AHTR3EHTR3BHTR5AHTR3D
SCHEMBL1567955 0.82 CHRNA7 (0.52) HTR3AHTR3EHTR3BHTR5AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112119-A1 AZABICYCLOOCTYL-QUINAZOLONE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS NEUROSEARCH A/S (DK) 2011-05-12 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 (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-20110112119-A1 AZABICYCLOOCTYL-QUINAZOLONE DERIVATIVES USEFUL AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS CHRNA5, CHRNA6, CHRNA3 HTR3A 111/4885HTR3E 217/4885HTR3B 79/4885

“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.