SCHEMBL620109

SCHEMBL620109

CC1(C)OC(=O)c2c(OC3CCOC3)cccc2O1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 1/20 0.37
▸ BAZ2B Q9UIF8 1/20 0.37
▸ PDE4D Q08499 14/20 0.36
▸ PDE4A P27815 6/20 0.36
▸ PDE4B Q07343 6/20 0.36
▸ PDE4C Q08493 6/20 0.36
▸ NTRK1 P04629 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ NTRK2 Q16620 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ ALK Q9UM73 1/20 0.34
▸ HTR2C P28335 1/20 0.34

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
SCHEMBL620108 1.00 KAT2B (0.37) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL2761656 0.83 PTGS2 (0.40) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL27379609 0.80 ALDH1A1 (0.34) ALDH1A1HTR2C
SCHEMBL23655043 0.73 ALDH1A1 (0.48) ALDH1A1HTR2C
SCHEMBL24762718 0.72 CNR2 (0.36) ALDH1A1
SCHEMBL24762712 0.72 CNR2 (0.36) ALDH1A1
SCHEMBL27032900 0.72 ALDH1A1 (0.40) ALDH1A1HTR2C
SCHEMBL29828872 0.70 ALDH1A1 (0.40) ALDH1A1HTR2C
SCHEMBL30645756 0.70 CA1 (0.47) ALDH1A1HTR2C
SCHEMBL2761782 0.68 HPGD (0.42) —

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
EP-2536713-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS Pfizer Inc. (US) 2012-12-26 — — EP disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 — — US disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 — — US disclosed
US-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. 2012-02-16 — — US disclosed
WO-2011101774-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. (US) 2011-08-25 — — WO disclosed
WO-2011101774-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS PFIZER INC. (US) 2011-08-25 — — 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-20120041026-A1 (R)-4-((4-((4-(TETRAHYDROFURAN-3-YLOXY)BENZO[D]ISOXAZOL-3-YLOXY)METHYL)PIPERIDIN-1-YL)METHYL)TETRAHYDRO-2H-PYRAN-4-OL, A PARTIAL AGONIST OF 5-HT4 RECEPTORS HTR4, HTR1A, HTR3B KAT2B 1801/4885BAZ2B 1262/4885PDE4D 467/4885

“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.

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