SCHEMBL20719112

SCHEMBL20719112

COc1nc(-c2ccc3ccccc3c2)ccc1C1(O)CCC2(CC1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 10/20 0.38
KDM4E B2RXH2 8/20 0.38
HPGD P15428 7/20 0.38
HSD17B10 Q99714 7/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HCRTR1 O43613 1/20 0.38
POLB P06746 1/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 5/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.35

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
SCHEMBL20719097 0.73 SLC6A2 (0.41) RAB9AALDH1A1KDM4EHPGDATM
SCHEMBL20719298 0.69 OPRM1 (0.45) RAB9AALDH1A1KDM4EHPGDGAA
SCHEMBL20719845 0.69 SLC6A2 (0.49) RAB9AALDH1A1KDM4EHPGDATM
SCHEMBL2512245 0.68 PDE10A (0.42) PDE10APOLB
SCHEMBL615120 0.68 SIGMAR1 (0.60) PDE10AALDH1A1POLBSMN1; SMN2KMT2A
SCHEMBL20719838 0.67 PTGER3 (0.42) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20719839 0.67 PTGER3 (0.42) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20719435 0.67 PTGER3 (0.44) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20719065 0.67 PTGER3 (0.38) RAB9AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20719645 0.66 PTGER3 (0.35) RAB9AALDH1A1KDM4EHPGDHSD17B10

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-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 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-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 PDE10A 1036/4885RAB9A 3989/4885ALDH1A1 2314/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDE10A 1010/4885RAB9A 3974/4885ALDH1A1 1953/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDE10A 1036/4885RAB9A 3989/4885ALDH1A1 2314/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDE10A 1010/4885RAB9A 3974/4885ALDH1A1 1953/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 PDE10A 976/4885RAB9A 3861/4885ALDH1A1 2320/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 PDE10A 976/4885RAB9A 3861/4885ALDH1A1 2320/4885

“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.