SCHEMBL621201

SCHEMBL621201

Oc1noc2cccc(O[C@@H]3CCOC3)c12

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.51
CYP3A4 P08684 1/20 0.47
QPCT Q16769 3/20 0.42
QPCTL Q9NXS2 3/20 0.42
PDE4D Q08499 7/20 0.37
KAT2B Q92831 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
EGFR P00533 1/20 0.35
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
LRRK2 Q5S007 2/20 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
SCHEMBL621202 1.00 HTR4 (0.51) HTR4CYP3A4QPCTQPCTLPDE4D
SCHEMBL617998 0.74 HTR4 (0.65) HTR4CYP3A4
SCHEMBL617997 0.74 HTR4 (0.65) HTR4CYP3A4
SCHEMBL29186583 0.72 KAT2B (0.47) QPCTQPCTLPDE4DKAT2BBAZ2B
SCHEMBL6015546 0.71 DCPS (0.50) HTR4CYP3A4QPCTQPCTLLRRK2
SCHEMBL18010921 0.71 KAT2B (0.43) QPCTQPCTLPDE4DKAT2BBAZ2B
SCHEMBL16675010 0.71 KAT2B (0.43) QPCTQPCTLPDE4DKAT2BBAZ2B
SCHEMBL16674913 0.71 KAT2B (0.43) QPCTQPCTLPDE4DKAT2BBAZ2B
SCHEMBL5506979 0.70 KCNA5 (0.47) CYP3A4
SCHEMBL30210995 0.68 DCPS (0.61)

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 3 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
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 HTR4 1/4885CYP3A4 369/4885QPCT 3119/4885

“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.