SCHEMBL20719249

SCHEMBL20719249

CC(C)S(=O)(=O)N1CCC2(CC[CH]CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 10/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HRH3 Q9Y5N1 1/20 0.39
CYP2C19 P33261 3/20 0.37
CYP3A4 P08684 6/20 0.36
CYP2C9 P11712 4/20 0.36
TSHR P16473 3/20 0.36
CYP1A2 P05177 4/20 0.34
USP2 O75604 3/20 0.33
ALOX15 P16050 1/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HSD17B10 Q99714 2/20 0.32
HIF1A Q16665 1/20 0.32
HPGD P15428 1/20 0.32
MMP2 P08253 1/20 0.32
MMP13 P45452 1/20 0.32
ADAM17 P78536 1/20 0.32
NOS2 P35228 1/20 0.32
SLC6A9 P48067 1/20 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
SCHEMBL1381152 0.80 EPHX2 (0.38) CYP3A4EPHX2ALDH1A1
SCHEMBL25701698 0.76 CYP2D6 (0.51) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL25701697 0.75 CYP2D6 (0.49) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL26144775 0.74 HRH3 (0.37) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL12599351 0.74 HRH3 (0.37) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL25702903 0.74 CYP2D6 (0.48) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL25707865 0.74 CYP2D6 (0.49) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL13100462 0.72
SCHEMBL16259693 0.72 HRH3 (0.45) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4
SCHEMBL25708207 0.71 CYP2D6 (0.46) CYP2D6SMN1; SMN2HRH3CYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US claimed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US claimed
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2020-03-17 US disclosed
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-09-03 US disclosed
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US disclosed
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US disclosed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US 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 (6 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-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2D6 258/4885SMN1; SMN2 3697/4885HRH3 1300/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2D6 284/4885SMN1; SMN2 3686/4885HRH3 1350/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 258/4885SMN1; SMN2 3697/4885HRH3 1300/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 284/4885SMN1; SMN2 3686/4885HRH3 1350/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2D6 266/4885SMN1; SMN2 3825/4885HRH3 1285/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 266/4885SMN1; SMN2 3825/4885HRH3 1285/4885

“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.