SCHEMBL3337071

SCHEMBL3337071

C[C@]1(O)CC[C@](O)(CN2CCC(CN)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.41
CXCR4 P61073 1/20 0.33
PLG P00747 1/20 0.32
PLAT P00750 1/20 0.32
LMNA P02545 1/20 0.32
HTR4 Q13639 2/20 0.31

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
SCHEMBL3337075 1.00 NCF1 (0.41) NCF1CXCR4PLGPLATLMNA
SCHEMBL3337067 1.00 NCF1 (0.41) NCF1CXCR4PLGPLATLMNA
SCHEMBL2010650 0.80 HTR4 (0.41) NCF1CXCR4HTR4
SCHEMBL14006405 0.78 NCF1 (0.42) NCF1CXCR4
SCHEMBL8276754 0.78 HTR4 (0.35) NCF1CXCR4LMNAHTR4
SCHEMBL25308420 0.73 NCF1 (0.41) NCF1PLGPLATLMNA
SCHEMBL1700328 0.73 NCF1 (0.41) NCF1PLGPLATLMNA
SCHEMBL16041810 0.73 NCF1 (0.41) NCF1PLGPLATLMNA
SCHEMBL17207604 0.72 GNAI3 (0.37)
Hydrochloric Acid SCHEMBL30890390 0.72 NCF1 (0.39) NCF1PLGPLATLMNA

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 5 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-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-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

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 NCF1 2108/4885CXCR4 369/4885PLG 4202/4885
US-20080293767-A1 1-Isopropyl-2-Oxo-1,2-Dihydropyridine-3-Carboxamide Derivatives Having 5-Ht4 Receptor Agonistic Activity HRH4, HRH2, GPR4 NCF1 2108/4885CXCR4 369/4885PLG 4202/4885

“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.