SCHEMBL1006152

SCHEMBL1006152

Nc1nc2c(C(=O)NC3CN4CCC3CC4)cc(Cl)cc2o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 1.00
KCNH2 Q12809 2/20 1.00
HTR3E A5X5Y0 2/20 0.57
HTR3B O95264 2/20 0.57
HTR3D Q70Z44 2/20 0.57
HTR3C Q8WXA8 2/20 0.57
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL1006150 1.00 HTR3A (1.00) HTR3AKCNH2HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1059542 0.99 HTR3A (0.98) HTR3AKCNH2HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1059541 0.99 HTR3A (0.98) HTR3AKCNH2HTR3EHTR3BHTR3D
SCHEMBL1058646 0.88 HTR3A (0.78) HTR3AKCNH2HTR3EHTR3BHTR3D
SCHEMBL1059708 0.88 HTR3A (0.78) HTR3AKCNH2HTR3EHTR3BHTR3D
SCHEMBL1058648 0.88 HTR3A (0.78) HTR3AKCNH2HTR3EHTR3BHTR3D
SCHEMBL1059706 0.88 HTR3A (0.78) HTR3AKCNH2HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1060054 0.87 HTR3A (0.76) HTR3AKCNH2HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1060345 0.87 HTR3A (0.76) HTR3AKCNH2HTR3EHTR3BHTR3D
Hydrochloric Acid SCHEMBL1060343 0.87 HTR3A (0.76) HTR3AKCNH2HTR3EHTR3BHTR3D

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 9 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
EP-2061460-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS Albany Molecular Research, Inc. (US) 2009-05-27 EP 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
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 WO disclosed
WO-2008019372-A2 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS ALBANY MOLECULAR RESEARCH, INC. (US) 2008-02-14 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-20080255114-A1 2-AMINOBENZOXAZOLE CARBOXAMIDES AS 5HT3 MODULATORS HTR3E, HTR3C, HTR3A HTR3A 3/4885KCNH2 1871/4885HTR3E 1/4885

“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.