SCHEMBL4516990

SCHEMBL4516990

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.46
HSD11B1 P28845 8/20 0.46
CYP2D6 P10635 1/20 0.46
NPY5R Q15761 2/20 0.40
MGLL Q99685 1/20 0.40
PDK2 Q15119 1/20 0.40
MAPT P10636 2/20 0.39
MMP2 P08253 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
USP2 O75604 1/20 0.38

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
SCHEMBL4519969 0.93 HSD11B1 (0.47) AVPR1AHSD11B1CYP2D6NPY5RMGLL
SCHEMBL4518852 0.89 HSD11B1 (0.49) AVPR1AHSD11B1CYP2D6NPY5RMGLL
SCHEMBL4516802 0.88 MAPK1 (0.51) AVPR1AHSD11B1CYP2D6NPY5RPDK2
SCHEMBL4516336 0.88 HSD11B1 (0.50) AVPR1AHSD11B1CYP2D6NPY5RMGLL
SCHEMBL4507956 0.88 MAPT (0.44) AVPR1AHSD11B1CYP2D6NPY5RPDK2
SCHEMBL4518732 0.87 HSD11B1 (0.47) AVPR1AHSD11B1CYP2D6NPY5RHRH3
SCHEMBL4507285 0.86 MAPT (0.49) AVPR1AHSD11B1CYP2D6NPY5RPDK2
SCHEMBL13606678 0.85 HSD11B1 (0.51) AVPR1AHSD11B1CYP2D6NPY5R
SCHEMBL4501681 0.85 HSD11B1 (0.47) AVPR1AHSD11B1CYP2D6NPY5RMGLL
SCHEMBL4526145 0.84 HSD11B1 (0.50) AVPR1AHSD11B1CYP2D6NPY5R

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 AVPR1A 310/4885HSD11B1 1/4885CYP2D6 253/4885
US-20090298808-A1 INHIBITORS OF 11-BETA HYDROXYL STEROID DEHYDROGENASE TYPE I AND METHODS OF USING THE SAME HSD11B1, HSD11B2, HSD17B1 AVPR1A 310/4885HSD11B1 1/4885CYP2D6 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.