SCHEMBL6675799

SCHEMBL6675799

O=C1CCC2CCCCC2N1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.45
EPHX2 P34913 1/20 0.45
POLB P06746 2/20 0.42
HSD11B1 P28845 1/20 0.42
MGLL Q99685 1/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
CES1 P23141 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6673139 0.97 KMT2A (0.46) KMT2AMEN1MAPTEPHX2POLB
SCHEMBL6672054 0.88 KMT2A (0.50) KMT2AMEN1MAPTEPHX2POLB
SCHEMBL6670916 0.82 HSD11B1 (0.39) KMT2AMEN1HSD11B1MGLLHPGD
SCHEMBL6673055 0.81 HSD11B1 (0.40) KMT2AMEN1MAPTHSD11B1MGLL
SCHEMBL6672331 0.81 HSD11B1 (0.49) KMT2AMAPTEPHX2HSD11B1MGLL
SCHEMBL6672033 0.81 KMT2A (0.41) KMT2AMEN1EPHX2HPGDGAA
SCHEMBL6670907 0.80 HSD11B1 (0.39) KMT2AMEN1HSD11B1MGLLHPGD
SCHEMBL6670611 0.79 HSD11B1 (0.40) KMT2AMEN1MAPTHSD11B1MGLL
SCHEMBL6674648 0.79 KMT2A (0.41) KMT2AMEN1MAPTEPHX2HPGD
SCHEMBL6669053 0.79 HSD11B1 (0.46) KMT2AMEN1MAPTPOLBHSD11B1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0713702-B1 ANXIOLYTIC AGENT TAIHO PHARMACEUTICAL CO LTD (JP) 2004-09-29 EP disclosed
US-6500819-B2 HAS AN EXCELLENT ANXIOLYTIC EFFECT TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2002-12-31 US disclosed
US-20020099048-A1 Bicycloloactam compounds, use thereof and intermediates for preparing thereof TAIHO PHARMACEUTICAL COMPANY LIMITED 2002-07-25 US disclosed
US-6355668-B1 ANXIOLYTIC AGENTS; SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL CO., LTD. (JP) 2002-03-12 US disclosed
US-6303623-B1 TREATING ANXIETY IN A PATIENT IN NEED OF SUCH TREATMENT, COMPRISING ADMINISTERING BICYCLOLACTAM COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2001-10-16 US disclosed
US-6159987-A Bicyclolactam compounds, use thereof and intermediates for preparing thereof TAIHO PHARMACEUTICALS, CO. (JP) 2000-12-12 US disclosed
US-6004975-A ANXIOLYTIC AGENTS WITH SIDE EFFECT REDUCTION TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1999-12-21 US disclosed
EP-0713702-A1 ANXIOLYTIC AGENT TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1996-05-29 EP 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-20020099048-A1 Bicycloloactam compounds, use thereof and intermediates for preparing thereof CYP11B1, GABRA6, CYP11B2 KMT2A 1683/4885MEN1 3932/4885MAPT 2746/4885

“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.