SCHEMBL20719250

SCHEMBL20719250

CCOC(=O)C(CC)(CC)c1ccc(Cl)nc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CYP1A2 P05177 2/20 0.37
ABCB11 O95342 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37
PMP22 Q01453 1/20 0.37
PPARA Q07869 1/20 0.37
DGAT1 O75907 1/20 0.35
CNR2 P34972 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
OPRK1 P41145 1/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
CDC7 O00311 1/20 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
SCHEMBL16617651 0.84 CYP1A2 (0.40) TSHRCYP1A2ABCB11CYP3A4HTR2A
SCHEMBL16617001 0.78 ABCB11 (0.35) TSHRCYP1A2ABCB11CYP3A4HTR2A
SCHEMBL20719216 0.77 TNF (0.37) TSHRCYP1A2CYP3A4DGAT1L3MBTL1
SCHEMBL20719128 0.77 ALDH1A1 (0.38) CYP1A2ABCB11CYP3A4PMP22CNR2
SCHEMBL20719424 0.76 MAPT (0.35) DGAT1L3MBTL1GAATDP1MAPT
SCHEMBL20719426 0.76 MAPT (0.35) DGAT1L3MBTL1GAATDP1MAPT
SCHEMBL20719730 0.71 PDCD1LG2 (0.34) GAAPDCD1LG2CD274SMN1; SMN2
SCHEMBL20719394 0.71 MEN1 (0.36) CNR2L3MBTL1GAAPDCD1LG2CD274
SCHEMBL20719699 0.71 KDM4E (0.39) TSHRL3MBTL1TDP1PDCD1LG2CD274
SCHEMBL20719115 0.70 RAB9A (0.41) TSHRCYP1A2CYP3A4L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 568/4885CYP1A2 281/4885ABCB11 2548/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 TSHR 600/4885CYP1A2 302/4885ABCB11 2445/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TSHR 568/4885CYP1A2 281/4885ABCB11 2548/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TSHR 600/4885CYP1A2 302/4885ABCB11 2445/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 TSHR 565/4885CYP1A2 321/4885ABCB11 2471/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 TSHR 565/4885CYP1A2 321/4885ABCB11 2471/4885

“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.