SCHEMBL6673244

SCHEMBL6673244

O=C1CCC2CCCCC2N1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.49
CNR2 P34972 3/20 0.43
TSHR P16473 3/20 0.43
SIGMAR1 Q99720 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
PKM P14618 1/20 0.43
PGR P06401 3/20 0.41
HSD11B1 P28845 1/20 0.41
HCRTR1 O43613 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41
KMT2A Q03164 1/20 0.39
F2 P00734 1/20 0.39
PLAU P00749 1/20 0.39
KLKB1 P03952 1/20 0.39
ELANE P08246 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
SCHEMBL6668977 0.97 HPGD (0.49) HPGDCNR2TSHRSIGMAR1CYP1A2
SCHEMBL6670389 0.88 HPGD (0.50) HPGDCNR2TSHRSIGMAR1CYP1A2
SCHEMBL6672331 0.86 HSD11B1 (0.49) CNR2HSD11B1KMT2A
SCHEMBL6669053 0.83 HSD11B1 (0.46) PGRHSD11B1KMT2A
SCHEMBL6670916 0.82 HSD11B1 (0.39) HPGDCNR2HSD11B1KMT2A
SCHEMBL6672033 0.81 KMT2A (0.41) HPGDCNR2CYP1A2CYP2C19PKM
SCHEMBL6673055 0.81 HSD11B1 (0.40) HPGDCNR2HSD11B1KMT2A
SCHEMBL6670907 0.79 HSD11B1 (0.39) HPGDCNR2HSD11B1KMT2A
SCHEMBL6670611 0.78 HSD11B1 (0.40) HPGDCNR2HSD11B1KMT2A
SCHEMBL6674648 0.78 KMT2A (0.41) HPGDCNR2PKMKMT2A

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 7 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-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 HPGD 81/4885CNR2 156/4885TSHR 4141/4885

“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.