SCHEMBL1005963

SCHEMBL1005963

CN(C)c1nc2c(C(=O)N[C@@H]3CC4CCN3CC4)cc(Cl)cc2o1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.46
KCNH2 Q12809 1/20 0.46
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.33

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
Hydrochloric Acid SCHEMBL1006310 0.99 HTR3A (0.46) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1006151 0.85 HTR3A (0.64) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1007234 0.84 HTR3A (0.64) HTR3AKCNH2
Hydrochloric Acid SCHEMBL1005255 0.83 HTR3A (0.63) HTR3AKCNH2
SCHEMBL3990688 0.82 HTR3A (0.46) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1005962 0.79 HTR3A (0.74) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1005964 0.79 HTR3A (0.74) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
SCHEMBL1006334 0.79 HTR3A (0.42) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1006311 0.78 HTR3A (0.72) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1006308 0.78 HTR3A (0.72) HTR3AKCNH2ALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1871/4885ALDH1A1 3092/4885

“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.