SCHEMBL6674322

SCHEMBL6674322

N#Cc1ccc(C(=O)N2C(=O)CCC3CCCC32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
NR3C2 P08235 3/20 0.42
EPHX2 P34913 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
DPP4 P27487 1/20 0.40
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP2D6 P10635 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FASN P49327 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
PGR P06401 1/20 0.36
PDK1 Q15118 2/20 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
SCHEMBL6672554 0.97 NR3C2 (0.45) ALDH1A1NR3C2EPHX2NPC1RAB9A
SCHEMBL6671634 0.85 NR3C2 (0.48) ALDH1A1NR3C2EPHX2NPC1RAB9A
SCHEMBL6670907 0.83 HSD11B1 (0.39) L3MBTL1
SCHEMBL6669053 0.82 HSD11B1 (0.46) ALDH1A1GAAMAPTPGR
SCHEMBL6670611 0.82 HSD11B1 (0.40) ALDH1A1CA1CA2LMNAL3MBTL1
SCHEMBL6674648 0.82 KMT2A (0.41) ALDH1A1EPHX2NPC1RAB9ALMNA
SCHEMBL6670916 0.81 HSD11B1 (0.39) L3MBTL1GAA
SCHEMBL6672331 0.80 HSD11B1 (0.49) ALDH1A1EPHX2GAAMAPT
SCHEMBL6673055 0.80 HSD11B1 (0.40) ALDH1A1CA1CA2LMNAL3MBTL1
SCHEMBL6672033 0.80 KMT2A (0.41) ALDH1A1EPHX2NPC1RAB9ALMNA

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 ALDH1A1 304/4885NR3C2 951/4885EPHX2 694/4885

“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.