SCHEMBL7604786

SCHEMBL7604786

COc1cc(OC)cc(C(=O)N2C(=O)CCC3C(=O)CCC32)c1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
TSHR P16473 3/20 0.45
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SRD5A1 P18405 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
FFAR2 O15552 1/20 0.38
GFER P55789 1/20 0.37
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7606447 0.88 L3MBTL1 (0.45) ALDH1A1TSHRSRD5A1MEN1KMT2A
SCHEMBL7605171 0.87 KDM4E (0.48) ALDH1A1LMNASRD5A1MEN1KMT2A
SCHEMBL7607861 0.86 KMT2A (0.49) ALDH1A1LMNAHTTMEN1KMT2A
SCHEMBL7605165 0.82 TSHR (0.48) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL7604229 0.81 MAPK1 (0.50) ALDH1A1LMNAMEN1KMT2AGAA
SCHEMBL6670165 0.81 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHTTMEN1
SCHEMBL6674713 0.81 ALDH1A1 (0.46) ALDH1A1TSHRLMNAHTTMEN1
SCHEMBL7604509 0.80 SRD5A1 (0.44) ALDH1A1TSHRHTTSRD5A1MEN1
SCHEMBL7605169 0.77 KMT2A (0.40) ALDH1A1LMNAHTTSRD5A1MEN1
SCHEMBL7609455 0.77 KMT2A (0.40) ALDH1A1LMNAHTTSRD5A1MEN1

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 ALDH1A1 304/4885TSHR 4141/4885LMNA 436/4885

“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.