SCHEMBL20719259

SCHEMBL20719259

COc1nc(-c2ccc3ccccc3c2)ccc1C1CCC(=O)/C(=C\N(C)C)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP1LC3B Q9GZQ8 1/20 0.36
SLC6A3 Q01959 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDGFRB P09619 1/20 0.35
RAC1 P63000 2/20 0.34
SLC6A4 P31645 2/20 0.33
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
ALOX5 P09917 2/20 0.32
PFKFB3 Q16875 1/20 0.32
MAPK10 P53779 1/20 0.32
DKK1 O94907 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 0.32

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
SCHEMBL20719261 1.00 MAP1LC3B (0.36) MAP1LC3BSLC6A3NPC1RAB9AMEN1
SCHEMBL20719383 0.81 RAC1 (0.40) SLC6A3NPC1RAB9APDGFRBRAC1
SCHEMBL20719727 0.74 PDGFRB (0.36) SLC6A3NPC1RAB9APDGFRBRAC1
SCHEMBL22111652 0.69 MAP1LC3B (0.45) MAP1LC3BSLC6A3SLC6A4
SCHEMBL9536610 0.64 ALPL (0.43) SLC6A3NPC1RAB9APDGFRBRAC1
SCHEMBL20719845 0.62 SLC6A2 (0.49) SLC6A3NPC1RAB9AMEN1KMT2A
SCHEMBL9534999 0.62 RAC1 (0.44) SLC6A3NPC1RAB9APDGFRBRAC1
SCHEMBL9534914 0.61 SLC6A2 (0.47) SLC6A3NPC1RAB9AMEN1KMT2A
SCHEMBL9535531 0.59 RAC1 (0.49) SLC6A3NPC1RAB9APDGFRBRAC1
SCHEMBL20718980 0.59 PTGER3 (0.56) SLC6A3NPC1RAB9ARAC1SLC6A4

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 MAP1LC3B 4511/4885SLC6A3 3342/4885NPC1 3947/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MAP1LC3B 4487/4885SLC6A3 3381/4885NPC1 3824/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MAP1LC3B 4511/4885SLC6A3 3342/4885NPC1 3947/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MAP1LC3B 4487/4885SLC6A3 3381/4885NPC1 3824/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 MAP1LC3B 4478/4885SLC6A3 3002/4885NPC1 3967/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 MAP1LC3B 4478/4885SLC6A3 3002/4885NPC1 3967/4885

“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.