SCHEMBL619604

SCHEMBL619604

COC(=O)c1c(O)cccc1OC1CCOC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KAT2B Q92831 1/20 0.47
BAZ2B Q9UIF8 1/20 0.47
PDE4D Q08499 16/20 0.45
PDE4A P27815 8/20 0.45
PDE4B Q07343 8/20 0.45
PDE4C Q08493 8/20 0.45
GRM4 Q14833 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL619603 1.00 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL619683 0.86 KAT2B (0.49) CA12CA1CA2CA7CA9
SCHEMBL619682 0.86 KAT2B (0.49) CA12CA1CA2CA7CA9
SCHEMBL30645934 0.82 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL1811110 0.81 KAT2B (0.63) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL1811109 0.81 KAT2B (0.63) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL15390453 0.81 KAT2B (0.52) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL16675010 0.79 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL16674913 0.79 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B
SCHEMBL18010921 0.79 KAT2B (0.43) KAT2BBAZ2BPDE4DPDE4APDE4B

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 CA12 4883/4885CA1 4629/4885CA2 4847/4885

“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.