SCHEMBL3024958

SCHEMBL3024958

CC(C)(C)OC(=O)N1CC2OCc3cc(OS(=O)(=O)C(F)(F)F)ccc3C2C1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.43
LIPE Q05469 2/20 0.39
TACR1 P25103 2/20 0.38
PDE4B Q07343 3/20 0.38
KDM4E B2RXH2 1/20 0.36
HSD11B1 P28845 1/20 0.36
NAMPT P43490 1/20 0.35
GPR119 Q8TDV5 3/20 0.35
DRD2 P14416 2/20 0.35
DRD1 P21728 2/20 0.35
DRD4 P21917 2/20 0.35
DRD5 P21918 2/20 0.35
DRD3 P35462 2/20 0.35

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
SCHEMBL3024960 1.00 RORC (0.43) RORCLIPETACR1PDE4BKDM4E
SCHEMBL3032654 0.93 RORC (0.42) RORCLIPETACR1PDE4BKDM4E
SCHEMBL3032651 0.93 RORC (0.42) RORCLIPETACR1PDE4BKDM4E
SCHEMBL3655498 0.88 HSD11B1 (0.37) HSD11B1DRD2DRD1DRD4DRD5
SCHEMBL3019742 0.83 DRD2 (0.46) RORCLIPETACR1PDE4BKDM4E
SCHEMBL3019743 0.83 DRD2 (0.46) RORCLIPETACR1PDE4BKDM4E
SCHEMBL3023895 0.83 DRD2 (0.46) RORCLIPETACR1PDE4BKDM4E
SCHEMBL3020609 0.82 ESR2 (0.48) RORCTACR1PDE4BKDM4ENAMPT
SCHEMBL3020607 0.82 ESR2 (0.48) RORCTACR1PDE4BKDM4ENAMPT
SCHEMBL3027212 0.82 GHSR (0.47) RORCTACR1PDE4BGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 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 (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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 RORC 1536/4885LIPE 288/4885TACR1 112/4885

“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.