SCHEMBL20719128

SCHEMBL20719128

CCOC(=O)C(O)(c1ccc(Cl)nc1OC)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CHRM2 P08172 4/20 0.38
CHRM1 P11229 4/20 0.38
KCNH2 Q12809 3/20 0.38
SLC6A3 Q01959 2/20 0.38
POLB P06746 1/20 0.37
CYP2C19 P33261 2/20 0.37
CHRM4 P08173 2/20 0.37
CHRM3 P20309 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
THPO P40225 1/20 0.37
ABCB11 O95342 1/20 0.37
ESR1 P03372 1/20 0.37
CHRM5 P08912 1/20 0.37
ADRA2A P08913 1/20 0.37

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 0.79 CYP1A2 (0.40) ALDH1A1POLBCYP3A4CYP1A2ABCB11
SCHEMBL20719250 0.77 TSHR (0.37) CYP3A4CYP1A2ABCB11MEN1KMT2A
SCHEMBL6429575 0.73 ALDH1A1 (0.53) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL16617001 0.71 ABCB11 (0.35) CYP3A4CYP1A2ABCB11MEN1KMT2A
SCHEMBL20719394 0.71 MEN1 (0.36) ALDH1A1MEN1KMT2ALMNACNR2
SCHEMBL4200385 0.70 ALDH1A1 (0.55) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL3913293 0.70 ALDH1A1 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL5667254 0.70 ALDH1A1 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL290176 0.69 CHRM2 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3
SCHEMBL13574067 0.69 CHRM2 (0.70) ALDH1A1CHRM2CHRM1KCNH2SLC6A3

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 ALDH1A1 2314/4885CHRM2 459/4885CHRM1 651/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885CHRM2 455/4885CHRM1 475/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2314/4885CHRM2 459/4885CHRM1 651/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 1953/4885CHRM2 455/4885CHRM1 475/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885CHRM2 462/4885CHRM1 637/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 ALDH1A1 2320/4885CHRM2 462/4885CHRM1 637/4885

“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.