SCHEMBL20945172

SCHEMBL20945172

Nc1cccn(CCN2CCC(O)C2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 9/20 0.41
OPRM1 P35372 4/20 0.41
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
LTA4H P09960 1/20 0.39
KCNA3 P22001 1/20 0.38
PARP1 P09874 1/20 0.36
OPRD1 P41143 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL20945168 0.89 PARP1 (0.40) OPRK1OPRM1CNR2CNR1PARP1
SCHEMBL20945266 0.81 KCNH2 (0.37) OPRK1OPRM1CNR2CNR1LTA4H
SCHEMBL20944986 0.79 LTA4H (0.48) CNR2CNR1LTA4H
SCHEMBL6302641 0.78 CNR2 (0.41) CNR2CNR1LTA4HPARP1
SCHEMBL6310595 0.76 CNR2 (0.51) CNR2CNR1
SCHEMBL12264182 0.75 CNR2 (0.43) OPRK1OPRM1CNR2CNR1KCNA3
SCHEMBL20945008 0.72 ELANE (0.40) CNR2CNR1PARP1
SCHEMBL28960037 0.70 PDCD1 (0.44) LTA4HKCNA3HRH2HRH1HRH3
SCHEMBL20945135 0.69 KMT2A (0.47) CNR2CNR1PARP1
SCHEMBL20689240 0.69 TYK2 (0.38) CNR2CNR1PARP1

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
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
EP-3478671-B1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN LA ROCHE (CH) 2020-05-13 EP disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors HOFFMANN-LA ROCHE INC. (US) 2020-03-24 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 US disclosed
US-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2019-05-02 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 (2 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-20190127349-A1 PYRIDAZINONE-BASED BROAD SPECTRUM ANTI-INFLUENZA INHIBITORS ABCG2, PIR, PRNP OPRK1 3066/4885OPRM1 3360/4885CNR2 4304/4885
US-10597380-B2 Pyridazinone-based broad spectrum anti-influenza inhibitors ABCG2, PIR, PRNP OPRK1 3066/4885OPRM1 3360/4885CNR2 4304/4885

“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.