SCHEMBL20719647

SCHEMBL20719647

CCOC(=O)C1(c2ccc(-c3ccc4cccc(F)c4c3)nc2OC)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.38
LMNA P02545 3/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
MAPT P10636 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 2/20 0.35
THRB P10828 1/20 0.35
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL20718993 0.96 OPRM1 (0.39) OPRM1LMNAALDH1A1NPC1CASP3
SCHEMBL20719298 0.88 OPRM1 (0.45) OPRM1LMNAALDH1A1NPC1CASP3
SCHEMBL20719253 0.81 ALOX15 (0.39) ALDH1A1NPC1RAB9ANPSR1MEN1
SCHEMBL20719642 0.78 PTGER3 (0.37) ALDH1A1SMN1; SMN2MAPTPOLBNPSR1
SCHEMBL20719116 0.78 PTGER3 (0.35) ALDH1A1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL20718975 0.78 CD274 (0.39) ALDH1A1SMN1; SMN2NPC1CASP3RAB9A
SCHEMBL20719209 0.78 HPGD (0.49) LMNAALDH1A1RAB9AMAPTPOLB
SCHEMBL20719273 0.76 HPGD (0.41) LMNAALDH1A1SMN1; SMN2MAPTPOLB
SCHEMBL20719471 0.76 PTGER3 (0.38) ALDH1A1SMN1; SMN2MAPTPOLBTHRB
SCHEMBL20719097 0.74 SLC6A2 (0.41) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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 OPRM1 442/4885LMNA 1335/4885ALDH1A1 2314/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 OPRM1 373/4885LMNA 1286/4885ALDH1A1 1953/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 OPRM1 442/4885LMNA 1335/4885ALDH1A1 2314/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 OPRM1 373/4885LMNA 1286/4885ALDH1A1 1953/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 OPRM1 412/4885LMNA 1291/4885ALDH1A1 2320/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 OPRM1 412/4885LMNA 1291/4885ALDH1A1 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.