SCHEMBL2961234

SCHEMBL2961234

CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(Cl)cc3oc(-c4ccccc4)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 3/20 0.47
PARP1 P09874 2/20 0.47
THRB P10828 1/20 0.47
HTR3A P46098 2/20 0.47
HDAC4 P56524 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
TP53 P04637 3/20 0.45
MAPK8 P45983 1/20 0.43

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
SCHEMBL2963805 0.88 HTR3A (0.61) USP30POLBLMNAPARP1THRB
SCHEMBL2963991 0.86 HTR3A (0.55) HTR3A
SCHEMBL5244750 0.81 HTR3A (0.48) HTR3A
SCHEMBL2953739 0.80 HTR3A (0.49) HTR3A
SCHEMBL2963015 0.79 HTR3A (0.61) USP30POLBLMNAPARP1THRB
SCHEMBL2956887 0.79 HTR3A (0.70) HTR3A
SCHEMBL2954830 0.77 HTR3A (0.77) HTR3A
SCHEMBL5639973 0.76 HTR3A (0.64) HTR3A
SCHEMBL2953544 0.75 HTR3A (0.71) HTR3A
SCHEMBL22083658 0.74 USP30 (0.56) USP30POLBLMNAPARP1THRB

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 4 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-20080108609-A1 Benzoxazole Carboxamides For Treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2008-05-08 US disclosed
US-7307094-B2 Benzoxazole carboxamides for treating CINV and IBS-D AMR TECHNOLOGY, INC. (US) 2007-12-11 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 USP30 4262/4885POLB 3066/4885LMNA 2708/4885
US-20060183769-A1 Benzoxazole carboxamides for treating CINV and IBS-D HTR3E, BRS3, HTR3A USP30 4262/4885POLB 3066/4885LMNA 2708/4885

“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.