SCHEMBL2808587

SCHEMBL2808587

CCOC(=O)c1cc(OCCCOC)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 12/20 0.53
ALOX15 P16050 1/20 0.50
NCF1 P14598 1/20 0.48
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL90018 0.89 ALOX15 (0.53) P2RY12ALOX15NCF1ALDH1A1
SCHEMBL3332342 0.84 P2RY12 (0.53) P2RY12ALOX15ALDH1A1SMN1; SMN2
SCHEMBL20515870 0.80 ALOX15 (0.69) P2RY12ALOX15NCF1ALDH1A1
SCHEMBL31389238 0.80 ALOX15 (0.57) P2RY12ALOX15SMN1; SMN2
SCHEMBL30438659 0.80 ALOX15 (0.69) P2RY12ALOX15NCF1ALDH1A1
SCHEMBL3328186 0.78 CASP3 (0.48) P2RY12ALOX15ALDH1A1SMN1; SMN2
SCHEMBL13131925 0.78 CDC25B (0.44) ALDH1A1SMN1; SMN2
SCHEMBL6889759 0.78 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2
SCHEMBL30002312 0.77 SMN1; SMN2 (0.54) ALOX15ALDH1A1SMN1; SMN2
SCHEMBL1733527 0.77 SMN1; SMN2 (0.54) ALOX15ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
US-8975252-B2 Morpholine derivative SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2015-03-10 US disclosed
US-20100240644-A1 MORPHOLINE DERIVATIVE SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2010-09-23 US disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP 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 (1 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-20100240644-A1 MORPHOLINE DERIVATIVE REN, AGTR1, AGTR2 P2RY12 4561/4885ALOX15 3459/4885NCF1 4177/4885

“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.