SCHEMBL2477580

SCHEMBL2477580

O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.69
LMNA P02545 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
MAPT P10636 1/20 0.66
MAPK1 P28482 1/20 0.66
TDP1 Q9NUW8 1/20 0.66
MGLL Q99685 4/20 0.60
DRD4 P21917 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2D6 P10635 1/20 0.60
FAAH O00519 3/20 0.59

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
SCHEMBL21722822 0.86 SLC2A1 (0.59) HTTMGLLCYP1A2CYP2D6FAAH
SCHEMBL21722836 0.85 SIGMAR1 (0.60) MGLLCYP1A2CYP2D6FAAH
SCHEMBL14389738 0.83 CYP1A2 (0.65) MGLLCYP1A2CYP2D6FAAH
SCHEMBL9058527 0.82 CYP1A2 (0.61) MGLLCYP1A2CYP2D6FAAH
SCHEMBL12794615 0.81 MGLL (0.87) LMNASMN1; SMN2MAPTTDP1MGLL
SCHEMBL25075298 0.80 CYP1A2 (0.71) MGLLCYP1A2CYP2D6FAAH
SCHEMBL1242937 0.80 CYP1A2 (0.61) MGLLCYP1A2CYP2D6FAAH
SCHEMBL2103545 0.80 CYP1A2 (0.70) MGLLCYP1A2CYP2D6FAAH
SCHEMBL3455702 0.80 HTT (0.91) HTTLMNASMN1; SMN2MAPTMAPK1
SCHEMBL21381823 0.79 MGLL (0.68) MGLLCYP1A2CYP2D6FAAH

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
CN-111936503-A Oxazin monoacylglycerol lipase (MAGL) inhibitors 豪夫迈·罗氏有限公司 2020-11-13 CN disclosed
EP-2373344-B1 COMBINED DRUG ADMINISTRATION HOFFMANN LA ROCHE (CH) 2016-03-30 EP disclosed
US-20160074360-A1 COMBINED DRUG ADMINISTRATION OF DALCETRAPIB AND ORLISTAT HOFFMANN-LA ROCHE INC. 2016-03-17 US disclosed
EP-2373344-A1 COMBINED DRUG ADMINISTRATION F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
WO-2010066593-A1 COMBINED DRUG ADMINISTRATION F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 WO disclosed
US-20100144853-A1 NOVEL COMBINED ADMINISTRATION HOFFMANN-LA ROCHE, INC. 2010-06-10 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-20100144853-A1 NOVEL COMBINED ADMINISTRATION CES1, PCSK9, LIPG HTT 3209/4885LMNA 1122/4885SMN1; SMN2 1966/4885
US-20160074360-A1 COMBINED DRUG ADMINISTRATION OF DALCETRAPIB AND ORLISTAT CETP, MTTP, LIPC HTT 1654/4885LMNA 1246/4885SMN1; SMN2 3201/4885

“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.