SCHEMBL970203

SCHEMBL970203

O=[N+]([O-])c1c(F)cc(N2CCOCC2)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2D6 P10635 1/20 0.50
PKM P14618 1/20 0.50
POLB P06746 2/20 0.48
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
RAC1 P63000 1/20 0.45
MITF O75030 1/20 0.45
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
MEN1 O00255 2/20 0.43
MAPK1 P28482 2/20 0.43

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
SCHEMBL19988835 0.91 MAPT (0.46) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL25796640 0.90 MAPT (0.49) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL19991598 0.82 MAPT (0.49) MAPTALDH1A1PKMSMN1; SMN2HTT
Toluene SCHEMBL23360724 0.81 MAPT (0.48) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL21001116 0.80 MAPT (0.51) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL6624247 0.80 MAPT (0.55) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16532774 0.80 SIRT6 (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2062256 0.80 P2RY12 (0.40) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2589998 0.80 MAPT (0.69) MAPTALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2060641 0.80 MAPT (0.53) MAPTALDH1A1CYP1A2CYP3A4CYP2C9

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
CN-111655690-B Pyrazolopyridinone compounds 詹森药业有限公司 2023-01-10 CN disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 EP disclosed
EP-3713941-B1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2022-06-22 EP disclosed
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 US disclosed
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-05-20 US disclosed
EP-3713941-A1 PYRAZOLOPYRIDINONE COMPOUNDS Janssen Pharmaceutica NV (BE) 2020-09-30 EP disclosed
CN-111655690-A Pyrazolopyridinone compounds 詹森药业有限公司 2020-09-11 CN disclosed
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-06-04 US disclosed
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2009-05-28 US disclosed
US-7501414-B2 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2009-03-10 US disclosed
EP-1727809-B8 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-10-29 EP disclosed
EP-1947093-A1 Substituted morpholine and thiomorpholine derivatives H. Lundbeck A/S (DK) 2008-07-23 EP disclosed
EP-1727809-B1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES LUNDBECK & CO AS H (DK) 2008-06-11 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed
EP-1727809-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
US-20060167248-A1 Substituted morpholine and thiomorpholine derivatives H. LUNDBECK A/S (DK) 2006-07-27 US disclosed
WO-2005087754-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO 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 (5 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-20060167248-A1 Substituted morpholine and thiomorpholine derivatives OPRM1, OPRK1, OPRD1 MAPT 169/4885ALDH1A1 1668/4885CYP1A2 82/4885
US-20090137571-A1 SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, OPRK1, OPRD1 MAPT 176/4885ALDH1A1 1816/4885CYP1A2 99/4885
US-20210147411-A1 PYRAZOLOPYRIDINONE COMPOUNDS FGFR1, FGFR3, FGFR2 MAPT 1516/4885ALDH1A1 1418/4885CYP1A2 1486/4885
US-20090143369-A1 METHODS OF USING SUBSTITUTED MORPHOLINE AND THIOMORPHOLINE DERIVATIVES OPRM1, TPMT, OPRK1 MAPT 264/4885ALDH1A1 1400/4885CYP1A2 70/4885
US-11691970-B2 Pyrazolopyridinone compounds FGFR1, FGFR3, FGFR2 MAPT 1516/4885ALDH1A1 1418/4885CYP1A2 1486/4885

“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.