SCHEMBL12640491

SCHEMBL12640491

O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.57
HCRTR2 O43614 2/20 0.57
LMNA P02545 1/20 0.57
TSHR P16473 1/20 0.57
ALDH1A1 P00352 3/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 1/20 0.57
ITGB1 P05556 8/20 0.56
ITGA4 P13612 8/20 0.56
ITGB7 P26010 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 2/20 0.54
SCN3A Q9NY46 1/20 0.54
USP2 O75604 1/20 0.53
HPGD P15428 1/20 0.53
HSD11B1 P28845 1/20 0.53

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
SCHEMBL14529605 0.88 ITGB1 (0.53) TSHRALDH1A1ITGB1ITGA4ITGB7
SCHEMBL5332792 0.87 HSD11B1 (0.53) ITGB1ITGA4ITGB7HSD11B1
SCHEMBL14529947 0.87 HSD11B1 (0.53) ITGB1ITGA4ITGB7HSD11B1
SCHEMBL14529616 0.86 HSD11B1 (0.65) HCRTR1HCRTR2ITGB1ITGA4ITGB7
SCHEMBL14529964 0.86 HSD11B1 (0.65) HCRTR1HCRTR2ITGB1ITGA4ITGB7
SCHEMBL5345940 0.85 TSHR (0.62) HCRTR1HCRTR2LMNATSHRALDH1A1
SCHEMBL5345936 0.85 TSHR (0.62) HCRTR1HCRTR2LMNATSHRALDH1A1
SCHEMBL5452294 0.83 GAA (0.48) HCRTR1HCRTR2LMNATSHRITGB1
SCHEMBL14529760 0.82 HSD11B1 (0.61) ITGB1ITGA4ITGB7HSD11B1
SCHEMBL5315648 0.82 HSD11B1 (0.61) ITGB1ITGA4ITGB7HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US 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-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HCRTR1 1437/4885HCRTR2 1477/4885LMNA 4087/4885

“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.