SCHEMBL4501853

SCHEMBL4501853

O=C1O[C@]2(CCN(C(=O)c3ccc(N4CCCC4=O)cc3)C2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
HPGD P15428 3/20 0.53
HSD11B1 P28845 9/20 0.49
CYP2D6 P10635 1/20 0.49
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL351102 0.85 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL351858 0.85 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL350878 0.85 HSD11B1 (0.70) HSD11B1CYP2D6
SCHEMBL3836585 0.84 HSD11B1 (0.55) HSD11B1CYP2D6
SCHEMBL4520088 0.84 HSD11B1 (0.55) HSD11B1CYP2D6
SCHEMBL3837753 0.84 HSD11B1 (0.49) HSD11B1CYP2D6
SCHEMBL6080135 0.84 HSD11B1 (0.46) HSD11B1CYP2D6
SCHEMBL4525522 0.82 HSD11B1 (0.56) HSD11B1CYP2D6
SCHEMBL350317 0.82 HSD11B1 (0.69) HSD11B1CYP2D6
SCHEMBL350035 0.82 HSD11B1 (0.69) HSD11B1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2009-12-03 US claimed
US-20060122210-A1 Inhibitors of 11-beta hydroxyl steroid dehydrogenase type I and methods of using the same INCYTE CORPORATION 2006-06-08 US claimed
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2009-12-03 US disclosed
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2009-12-03 US disclosed
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME INCYTE CORPORATION, A DELAWARE CORPORATION 2009-12-03 US disclosed
US-20060122210-A1 Inhibitors of 11-beta hydroxyl steroid dehydrogenase type I and methods of using the same INCYTE CORPORATION 2006-06-08 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 (2 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-20060122210-A1 Inhibitors of 11-beta hydroxyl steroid dehydrogenase type I and methods of using the same HSD11B1, HSD11B2, HSD17B1 ALDH1A1 79/4885HPGD 46/4885HSD11B1 1/4885
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME HSD11B1, HSD11B2, HSD17B1 ALDH1A1 79/4885HPGD 46/4885HSD11B1 1/4885

“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.