SCHEMBL20719097

SCHEMBL20719097

COc1nc(-c2ccc3ccccc3c2)ccc1C1(C(=O)O)CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.41
SLC6A3 Q01959 3/20 0.41
RARB P10826 4/20 0.41
RARA P10276 3/20 0.41
RARG P13631 3/20 0.41
ALPL P05186 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
CTRC Q99895 1/20 0.39
SLC6A4 P31645 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL20719298 0.86 OPRM1 (0.45) SLC6A2SLC6A3RARBRARARARG
SCHEMBL20719647 0.74 OPRM1 (0.38) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL9534914 0.73 SLC6A2 (0.47) SLC6A2SLC6A3ALPLKDM4EALDH1A1
SCHEMBL20719112 0.73 PDE10A (0.41) ALPLKDM4EALDH1A1LMNAMAPT
SCHEMBL20719845 0.73 SLC6A2 (0.49) SLC6A2SLC6A3ALPLKDM4EALDH1A1
SCHEMBL9535376 0.71 ALPL (0.43) SLC6A2SLC6A3ALPLKDM4EALDH1A1
SCHEMBL9537088 0.71 SLC22A12 (0.44) SLC6A2SLC6A3RARBRARARARG
SCHEMBL9533905 0.71 ALPL (0.43) SLC6A2SLC6A3ALPLKDM4EALDH1A1
SCHEMBL20719065 0.70 PTGER3 (0.38) SLC6A2SLC6A3ALPLKDM4EALDH1A1
SCHEMBL20790259 0.70 HDAC6 (0.42) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2

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 SLC6A2 4155/4885SLC6A3 3342/4885RARB 1561/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 SLC6A2 4264/4885SLC6A3 3381/4885RARB 1640/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 SLC6A2 4155/4885SLC6A3 3342/4885RARB 1561/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 SLC6A2 4264/4885SLC6A3 3381/4885RARB 1640/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 SLC6A2 4197/4885SLC6A3 3002/4885RARB 1591/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 SLC6A2 4197/4885SLC6A3 3002/4885RARB 1591/4885

“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.