SCHEMBL1004352

SCHEMBL1004352

C[C@@H]1CNCCN1c1nc2c(C(=O)NC3CC4CCCC(C3)N4C)cccc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 20/20 1.00
KCNH2 Q12809 3/20 0.79
CYP2C19 P33261 1/20 0.79

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
SCHEMBL1005893 1.00 HTR3A (1.00) HTR3AKCNH2CYP2C19
SCHEMBL12928086 1.00 HTR3A (1.00) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1003469 0.99 HTR3A (0.98) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1006455 0.99 HTR3A (0.98) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1005277 0.99 HTR3A (0.98) HTR3AKCNH2CYP2C19
SCHEMBL8222125 0.90 HTR3A (0.82) HTR3AKCNH2CYP2C19
SCHEMBL8223634 0.90 HTR3A (0.81) HTR3AKCNH2CYP2C19
SCHEMBL8227822 0.90 HTR3A (0.81) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1007756 0.90 HTR3A (0.81) HTR3AKCNH2CYP2C19
Hydrochloric Acid SCHEMBL1004628 0.89 HTR3A (0.80) HTR3AKCNH2CYP2C19

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 6 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-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
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
US-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS AMR TECHNOLOGY, INC. (US) 2008-10-16 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 1871/4885CYP2C19 169/4885

“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.