SCHEMBL4519969

SCHEMBL4519969

CCC(=O)N1CCN(c2ccc(C(=O)N3CC[C@@]4(C3)OC(=O)c3ccccc34)c(Cl)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.47
PDK2 Q15119 1/20 0.47
CYP2D6 P10635 1/20 0.47
AVPR1A P37288 3/20 0.45
NPY5R Q15761 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
MGLL Q99685 1/20 0.39
SIGMAR1 Q99720 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
SCHEMBL4516990 0.93 AVPR1A (0.46) HSD11B1PDK2CYP2D6AVPR1ANPY5R
SCHEMBL4525674 0.90 PDK2 (0.48) HSD11B1PDK2CYP2D6AVPR1ANPY5R
SCHEMBL4518852 0.90 HSD11B1 (0.49) HSD11B1PDK2CYP2D6AVPR1ANPY5R
SCHEMBL4516802 0.90 MAPK1 (0.51) HSD11B1PDK2CYP2D6AVPR1ANPY5R
SCHEMBL4516336 0.89 HSD11B1 (0.50) HSD11B1CYP2D6AVPR1ANPY5RMGLL
SCHEMBL4518732 0.89 HSD11B1 (0.47) HSD11B1CYP2D6AVPR1ANPY5RHRH3
SCHEMBL4521344 0.89 PDK2 (0.48) HSD11B1PDK2CYP2D6AVPR1ANPY5R
SCHEMBL4501681 0.88 HSD11B1 (0.47) HSD11B1CYP2D6AVPR1ANPY5RMGLL
SCHEMBL4507285 0.88 MAPT (0.49) HSD11B1PDK2CYP2D6AVPR1ANPY5R
SCHEMBL4507956 0.88 MAPT (0.44) HSD11B1PDK2CYP2D6AVPR1ANPY5R

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 HSD11B1 1/4885PDK2 609/4885CYP2D6 253/4885
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME HSD11B1, HSD11B2, HSD17B1 HSD11B1 1/4885PDK2 609/4885CYP2D6 253/4885

“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.