SCHEMBL20719299

SCHEMBL20719299

[CH]1CCC2(CC1)CCCNC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 8/20 0.40
CYP3A4 P08684 8/20 0.40
ALDH1A1 P00352 7/20 0.40
CYP1A2 P05177 5/20 0.40
USP2 O75604 4/20 0.40
HSD17B10 Q99714 5/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 4/20 0.36
CYP2C19 P33261 3/20 0.36
HPGD P15428 2/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36

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
SCHEMBL17107677 0.88 CYP2D6 (0.39) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL347193 0.87
SCHEMBL1627509 0.85 TSHR (0.35) TSHRHTR2A
Bromide SCHEMBL15269148 0.85
Hydrochloric Acid SCHEMBL31482213 0.85 CYP2D6 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
Hydrochloric Acid SCHEMBL18205251 0.85
SCHEMBL1793924 0.82 CYP2D6 (0.41) CYP2D6CYP3A4ALDH1A1CYP1A2USP2
SCHEMBL1796659 0.82
SCHEMBL16878154 0.79
SCHEMBL1829577 0.79 ALDH1A1 (0.40) CYP2D6CYP3A4ALDH1A1CYP1A2USP2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10336701-B2 Pyridin-2-one derivatives of formula (II) useful as EP3 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2019-07-02 US claimed
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2019-02-14 US claimed
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 CYP2D6 258/4885CYP3A4 578/4885ALDH1A1 2314/4885
US-10590083-B2 Pyridin-2-one derivatives of formula (I) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2D6 284/4885CYP3A4 565/4885ALDH1A1 1953/4885
US-20190047960-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (II) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 258/4885CYP3A4 578/4885ALDH1A1 2314/4885
US-20190047959-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (I) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 284/4885CYP3A4 565/4885ALDH1A1 1953/4885
US-10399944-B2 Pyridin-2-one derivatives of formula (III) useful as EP3 receptor antagonists PTGER3, PTGER1, PTGER2 CYP2D6 266/4885CYP3A4 582/4885ALDH1A1 2320/4885
US-20190047961-A1 PYRIDIN-2-ONE DERIVATIVES OF FORMULA (III) USEFUL AS EP3 RECEPTOR ANTAGONISTS PTGER3, PTGER1, PTGER2 CYP2D6 266/4885CYP3A4 582/4885ALDH1A1 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.