SCHEMBL7942917

SCHEMBL7942917

COc1ccccc1-c1nc2c(C(=O)NC3CN4CCC3CC4)cc(F)cc2o1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 9/20 0.79
KCNH2 Q12809 4/20 0.79
CHRNA7 P36544 6/20 0.58
CYP3A4 P08684 1/20 0.50

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 SCHEMBL2959358 0.99 HTR3A (0.77) HTR3AKCNH2CHRNA7CYP3A4
Hydrochloric Acid SCHEMBL2959363 0.99 HTR3A (0.77) HTR3AKCNH2CHRNA7CYP3A4
SCHEMBL5246855 0.88 HTR3A (1.00) HTR3AKCNH2CHRNA7CYP3A4
SCHEMBL2954748 0.85 HTR3A (0.56) HTR3AKCNH2CHRNA7
SCHEMBL2954745 0.85 HTR3A (0.56) HTR3AKCNH2CHRNA7
Hydrochloric Acid SCHEMBL5247276 0.83 HTR3A (0.55) HTR3AKCNH2CHRNA7CYP3A4
SCHEMBL2959336 0.80 HTR3A (0.81) HTR3AKCNH2CHRNA7CYP3A4
SCHEMBL2959338 0.80 HTR3A (0.81) HTR3AKCNH2CHRNA7CYP3A4
SCHEMBL2953621 0.79 HTR3A (0.62) HTR3AKCNH2CHRNA7
SCHEMBL2953625 0.79 HTR3A (0.62) HTR3AKCNH2CHRNA7

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-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-7781430-B2 Benzoxazole carboxamides for treating CINV and IBS-D ALBANY MOLECULAR RESEARCH, INC. (US) 2010-08-24 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 US disclosed
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2006-08-17 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 (2 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D HTR3E, BRS3, HTR3A HTR3A 3/4885KCNH2 1078/4885CHRNA7 1091/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A HTR3A 3/4885KCNH2 1078/4885CHRNA7 1091/4885

“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.