SCHEMBL3341330

SCHEMBL3341330

Cc1c(Cl)cc(C(=O)NCC2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ PKM P14618 1/20 0.53
▸ TP53 P04637 6/20 0.46
▸ LMNA P02545 4/20 0.46
▸ GNRHR P30968 1/20 0.46
▸ IL1B P01584 2/20 0.45
▸ P2RX7 Q99572 2/20 0.45
▸ UTS2R Q9UKP6 2/20 0.44
▸ HTR4 Q13639 1/20 0.44
▸ MAPT P10636 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ RORC P51449 1/20 0.42
▸ TGFBR1 P36897 2/20 0.42

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
SCHEMBL3335055 0.86 HTR4 (0.48) HTR4
SCHEMBL2007530 0.81 KDM4E (0.54) KDM4EPKMTP53LMNAGNRHR
SCHEMBL2330306 0.79 HTR4 (0.49) P2RX7HTR4MEN1KMT2A
SCHEMBL29268424 0.79 KDM4E (0.62) KDM4EPKMTP53LMNAGNRHR
SCHEMBL8287647 0.78 KDM4E (0.49) KDM4EPKMTP53LMNAGNRHR
SCHEMBL2337661 0.78 HTR4 (0.45) IL1BP2RX7HTR4
SCHEMBL2337664 0.78 HTR4 (0.45) IL1BP2RX7HTR4
SCHEMBL2337922 0.76 HTR4 (0.51) IL1BP2RX7HTR4
SCHEMBL2331993 0.76 HTR4 (0.43) HTR4
SCHEMBL2332002 0.76 HTR4 (0.43) HTR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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 KDM4E 2765/4885PKM 3536/4885TP53 4782/4885
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity HRH4, HRH2, GPR4 KDM4E 2765/4885PKM 3536/4885TP53 4782/4885

“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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