SCHEMBL3872685

SCHEMBL3872685

O=C1O[C@]2(CCN(C(=O)c3ccc(OC4CCN(C(=O)O)CC4)cc3Cl)C2)c2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 1/20 0.47
HSD11B1 P28845 9/20 0.47
CYP2D6 P10635 1/20 0.47
HRH1 P35367 4/20 0.45
CCR3 P51677 4/20 0.45
NPY5R Q15761 5/20 0.41
SIGMAR1 Q99720 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
SCHEMBL3872683 1.00 AVPR1A (0.47) AVPR1AHSD11B1CYP2D6HRH1CCR3
SCHEMBL4506721 0.91 AVPR1A (0.45) AVPR1AHSD11B1CYP2D6HRH1CCR3
SCHEMBL4506723 0.91 AVPR1A (0.45) AVPR1AHSD11B1CYP2D6HRH1CCR3
SCHEMBL4502714 0.89 HRH3 (0.44) AVPR1AHSD11B1CYP2D6HRH1CCR3
SCHEMBL4502712 0.89 HRH3 (0.44) AVPR1AHSD11B1CYP2D6HRH1CCR3
SCHEMBL4512256 0.85 HSD11B1 (0.52) AVPR1AHSD11B1CYP2D6NPY5RSIGMAR1
SCHEMBL4516336 0.81 HSD11B1 (0.50) AVPR1AHSD11B1CYP2D6NPY5RSIGMAR1
SCHEMBL4527499 0.80 HSD11B1 (0.55) AVPR1AHSD11B1CYP2D6NPY5R
SCHEMBL4513769 0.80 HSD11B1 (0.56) AVPR1AHSD11B1CYP2D6NPY5RSIGMAR1
SCHEMBL3834624 0.80 HSD11B1 (0.56) AVPR1AHSD11B1CYP2D6NPY5RSIGMAR1

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
EP-1824842-A4 INHIBITORS OF 11- HYDROXYL STEROID DEHYDROGENASE TYPE 1 AND METHODS OF USING THE SAME INCYTE CORP (US) 2009-08-26 EP claimed
EP-1824842-A2 INHIBITORS OF 11- HYDROXYL STEROID DEHYDROGENASE TYPE 1 AND METHODS OF USING THE SAME Incyte Corporation (US) 2007-08-29 EP 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
WO-2006055752-A2 INHIBITORS OF 11-β HYDROXYL STEROID DEHYDROGENASE TYPE 1 AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2006-05-26 WO 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

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.