SCHEMBL1004189

SCHEMBL1004189

CC(C)CC1CN(Cc2ccccc2)CCN1c1nc2c(C(=O)O)cccc2o1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 7/20 0.48
PPARD Q03181 2/20 0.40
PPARG P37231 1/20 0.40
HTR6 P50406 1/20 0.38
GRIN2B Q13224 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1004188 1.00 HTR3A (0.48) HTR3APPARDPPARGHTR6GRIN2B
SCHEMBL1005673 0.91 HTR3A (0.48) HTR3APPARDPPARGLMNASMN1; SMN2
SCHEMBL1005672 0.91 HTR3A (0.48) HTR3APPARDPPARGLMNASMN1; SMN2
SCHEMBL1004885 0.90 HTR3A (0.46) HTR3APPARDPPARGHTR6GRIN2B
SCHEMBL1004886 0.90 HTR3A (0.46) HTR3APPARDPPARGHTR6GRIN2B
SCHEMBL1006088 0.87 HTR3A (0.45) HTR3APPARDPPARGHTR6
SCHEMBL1006086 0.87 HTR3A (0.45) HTR3APPARDPPARGHTR6
SCHEMBL1005699 0.86 HTR3A (0.47) HTR3APPARDPPARGHTR6LMNA
SCHEMBL1005698 0.86 HTR3A (0.47) HTR3APPARDPPARGHTR6LMNA
SCHEMBL3981556 0.86 PPARD (0.40) HTR3APPARDPPARGLMNASMN1; SMN2

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
CN-101528225-B 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RES INC 2013-07-17 CN disclosed
US-7863271-B2 2-aminobenzoxazole carboxamides as 5HT3 modulators ALBANY MOLECULAR RESEARCH, INC. (US) 2011-01-04 US disclosed
CN-101528225-A 2-aminobenzoxazole carboxamides as 5HT3 modulators AMR TECHNOLOGY INC (US) 2009-09-09 CN 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
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 3/4885PPARD 3066/4885PPARG 4430/4885

“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.