SCHEMBL216274

SCHEMBL216274

Nc1ccc(OC2CCN(C(=O)O)CC2)cc1N

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.42
HRH1 P35367 2/20 0.41
CCR3 P51677 2/20 0.41
HRH3 Q9Y5N1 4/20 0.41
OPRK1 P41145 2/20 0.41
SCD5 Q86SK9 1/20 0.41
EPHX2 P34913 6/20 0.40

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
SCHEMBL215117 0.87 HRH1 (0.49) HRH1CCR3HRH3EPHX2
SCHEMBL216865 0.87 CCR5 (0.44) SRD5A1SRD5A2HRH3EPHX2
SCHEMBL12485444 0.87 GPR119 (0.46) SRD5A1SRD5A2HRH1CCR3HRH3
SCHEMBL6341704 0.87 EPHX2 (0.42) SRD5A1SRD5A2HRH1CCR3HRH3
SCHEMBL213590 0.84 SRD5A1 (0.50) SRD5A1SRD5A2HRH3SCD5EPHX2
SCHEMBL213412 0.83 LMNA (0.45) SRD5A1SRD5A2
SCHEMBL3292130 0.82 OPRK1 (0.49) SRD5A1HRH1CCR3OPRK1SCD5
SCHEMBL215797 0.81 GPR119 (0.59) HRH3
SCHEMBL15174208 0.80 F10 (0.39) SRD5A1HRH3
SCHEMBL25186260 0.79 HRH3 (0.49) SRD5A1HRH1CCR3HRH3SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088767-B2 JAK-2 modulators and methods of use EXELIXIS, INC. (US) 2012-01-03 US disclosed
US-20100136136-A1 JAK-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2010-06-03 US disclosed
EP-2061768-A2 IMIDAZOLE-4,5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS Exelixis, Inc. (US) 2009-05-27 EP disclosed
WO-2008042282-A2 IMIDAZOLE-4, 5-DICARBOXAMIDE DERIVATIVES AS JAK-2 MODULATORS EXELIXIS, INC. (US) 2008-04-10 WO 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-20100136136-A1 JAK-2 Modulators and Methods of Use JAK2, JAK1, JAK3 SRD5A1 4714/4885SRD5A2 3895/4885HRH1 1368/4885

“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.