SCHEMBL3332945

SCHEMBL3332945

CCc1c(Cl)cc(C(=O)NCC2CCN(CC3(O)CCOCC3)CC2)c(=O)n1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 10/20 0.55
▸ KCNH2 Q12809 4/20 0.39
▸ YEATS4 O95619 1/20 0.39
▸ CACNA1I Q9P0X4 1/20 0.39
▸ IL1B P01584 1/20 0.37
▸ P2RX7 Q99572 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL4735491 0.90 HTR4 (0.45) HTR4KCNH2CACNA1IIL1BP2RX7
SCHEMBL2338462 0.90 HTR4 (0.56) HTR4KCNH2YEATS4CACNA1IIL1B
SCHEMBL2336140 0.85 HTR4 (0.59) HTR4KCNH2YEATS4CACNA1I
SCHEMBL2009021 0.84 HTR4 (0.60) HTR4KCNH2YEATS4IL1BP2RX7
SCHEMBL2337670 0.84 HTR4 (0.59) HTR4KCNH2YEATS4CACNA1I
SCHEMBL2337287 0.83 HTR4 (0.56) HTR4KCNH2YEATS4CNR2
SCHEMBL2337922 0.81 HTR4 (0.51) HTR4KCNH2YEATS4CACNA1IIL1B
Oxalic Acid SCHEMBL2334899 0.81 HTR4 (0.54) HTR4KCNH2YEATS4
SCHEMBL2337661 0.80 HTR4 (0.45) HTR4KCNH2CACNA1IIL1BP2RX7
SCHEMBL2337664 0.80 HTR4 (0.45) HTR4KCNH2CACNA1IIL1BP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 — — US claimed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 — — US claimed
EP-1713797-B1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2008-03-05 — — EP claimed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 — — US disclosed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 — — US disclosed
US-8362038-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC. (US) 2013-01-29 — — US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 — — US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 — — US disclosed
US-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity KATO TOMOKI 2010-06-10 — — US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 — — US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 — — US disclosed
US-7691881-B2 1-isopropyl-2-oxo-1,2-dihydropyridine-3-carboxamide derivatives having 5-HT4 receptor agonistic activity PFIZER INC (US) 2010-04-06 — — US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 — — US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 — — US disclosed
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity KATO TOMOKI 2008-11-27 — — US disclosed
EP-1713797-B1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2008-03-05 — — EP disclosed
EP-1713797-B1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER (US) 2008-03-05 — — EP disclosed
WO-2005073222-A1 1-ISOPROPYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBOXAMIDE DERIVATIVES HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY PFIZER JAPAN, INC. (JP) 2005-08-11 — — 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 (2 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-20100144789-A1 1-Isopropyl-2-Oxo-1,2-dihydropyridine-3-carboxamide Derivatives having 5-HT4 Receptor Agonistic Activity HRH4, HRH2, GPR4 HTR4 4/4885KCNH2 1052/4885YEATS4 1061/4885
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity HRH4, HRH2, GPR4 HTR4 4/4885KCNH2 1052/4885YEATS4 1061/4885

“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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