SCHEMBL18344101

SCHEMBL18344101

COC1CCN(c2nc3c[c]ccc3o2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
PTGES O14684 2/20 0.39
LMNA P02545 5/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
MAP4K4 O95819 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 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
SCHEMBL18344234 0.82 LMNA (0.42) MGLLPTGESLMNAMAPTSMN1; SMN2
SCHEMBL18344078 0.82 ELANE (0.44) PTGESLMNAMAPTSMN1; SMN2HTT
SCHEMBL18344065 0.81 HTR6 (0.39) GAAKMT2A
SCHEMBL18344106 0.80 ELANE (0.46) PTGESLMNAMAPTSMN1; SMN2HTT
SCHEMBL18344180 0.79 ELANE (0.47) ALDH1A1
SCHEMBL24329979 0.78 PTGES (0.60) PTGES
SCHEMBL30672208 0.78 PTGES (0.60) PTGES
SCHEMBL18344164 0.78
SCHEMBL18344255 0.76 DPP4 (0.37)
SCHEMBL31349426 0.75 MGLL (0.49) MGLLMAPTGAAKMT2AMAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS ACTELTION PHARMACEUTICALS LTD (CH) 2021-12-23 US disclosed
US-11136317-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2021-10-05 US disclosed
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2020-05-28 US disclosed
US-10584118-B2 NADPH oxidase 4 inhibitors ACTELION PHARMACEUTICALS LTD (CH) 2020-03-10 US disclosed
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2018-06-28 US disclosed
EP-3310767-A1 NADPH OXIDASE 4 INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2018-04-25 EP disclosed
WO-2016207785-A1 NADPH OXIDASE 4 INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2016-12-29 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-10584118-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB MGLL 3953/4885PTGES 200/4885LMNA 2419/4885
US-20200165235-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB MGLL 3953/4885PTGES 200/4885LMNA 2419/4885
US-11136317-B2 NADPH oxidase 4 inhibitors NOX4, NOX1, CYBB MGLL 3953/4885PTGES 200/4885LMNA 2419/4885
US-20180179194-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB MGLL 3953/4885PTGES 200/4885LMNA 2419/4885
US-20210395238-A1 NADPH OXIDASE 4 INHIBITORS NOX4, NOX1, CYBB MGLL 3953/4885PTGES 200/4885LMNA 2419/4885

“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.