SCHEMBL7610040

SCHEMBL7610040

COc1ccc(C(=O)N2C(=O)CCC3C(OCc4ccccc4)CCCC32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXTR P30559 1/20 0.42
TSHR P16473 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 3/20 0.40
KCNA5 P22460 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM2B Q8NHM5 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7604377 0.95 OXTR (0.42) OXTRTSHRALDH1A1HCRTR1HCRTR2
SCHEMBL7605080 0.82 KCNA5 (0.43) TSHRALDH1A1RAB9AKCNA5NPC1
SCHEMBL7611824 0.79 HSD11B1 (0.43) OXTRTSHRHCRTR1HCRTR2HTT
SCHEMBL7608869 0.79 HSD11B1 (0.41) OXTRTSHRHCRTR1HCRTR2HTT
SCHEMBL7612660 0.77 TSHR (0.47) OXTRTSHRALDH1A1HTTRAB9A
SCHEMBL7611944 0.76 F2 (0.41) KMT2A
SCHEMBL7604509 0.74 SRD5A1 (0.44) OXTRTSHRALDH1A1HTTRAB9A
SCHEMBL7604521 0.73 F2 (0.40) ALDH1A1GAAMEN1KMT2A
SCHEMBL7610317 0.73 F2 (0.46) TSHRALDH1A1RAB9AKCNA5NPC1
SCHEMBL7606442 0.71 PTGDR2 (0.44) KMT2A

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
US-6500819-B2 HAS AN EXCELLENT ANXIOLYTIC EFFECT TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 2002-12-31 US disclosed
EP-0790237-B1 BICYCLOLACTAM COMPOUNDS, USE OF THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2002-09-18 EP 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-0790237-A1 BICYCLOLACTAM COMPOUNDS, USE OF THE SAME AND INTERMEDIATE IN THE PRODUCTION OF THE SAME TAIHO PHARMACEUTICAL CO., LTD. (JP) 1997-08-20 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 OXTR 271/4885TSHR 4141/4885ALDH1A1 304/4885

“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.