SCHEMBL3020609

SCHEMBL3020609

CC(C)(C)OC(=O)N1C[C@@H]2OCc3cc(O)ccc3[C@@H]2C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 2/20 0.48
PDE4B Q07343 8/20 0.42
RORC P51449 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NAMPT P43490 1/20 0.39
TACR1 P25103 1/20 0.36
ESR1 P03372 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PDK1 Q15118 1/20 0.35
PDK2 Q15119 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
SMN1; SMN2 Q16637 1/20 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
SCHEMBL3020607 1.00 ESR2 (0.48) ESR2PDE4BRORCKDM4ENAMPT
SCHEMBL3024746 0.91 ESR2 (0.48) ESR2PDE4BRORCKDM4ENAMPT
SCHEMBL3018630 0.91 ESR2 (0.48) ESR2PDE4BRORCKDM4ENAMPT
SCHEMBL3018633 0.91 ESR2 (0.48) ESR2PDE4BRORCKDM4ENAMPT
SCHEMBL3018324 0.85 PDE4B (0.41) ESR2PDE4BRORCKDM4ENAMPT
SCHEMBL3018327 0.85 PDE4B (0.41) ESR2PDE4BRORCKDM4ENAMPT
SCHEMBL3024958 0.82 RORC (0.43) PDE4BRORCKDM4ENAMPTTACR1
SCHEMBL3024960 0.82 RORC (0.43) PDE4BRORCKDM4ENAMPTTACR1
SCHEMBL3027212 0.82 GHSR (0.47) PDE4BRORCTACR1
SCHEMBL3027209 0.82 GHSR (0.47) PDE4BRORCTACR1

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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
US-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON 2010-08-19 US disclosed
WO-2009037220-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES N.V. ORGANON (NL) 2009-03-26 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-20100210680-A1 TRICYCLIC HETEROCYCLIC DERIVATIVES TPH1, HTR2C, TPH2 ESR2 2507/4885PDE4B 773/4885RORC 1536/4885

“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.