SCHEMBL1911534

SCHEMBL1911534

CCN(C(=O)C(C)C)C1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.56
POLB P06746 1/20 0.33
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 3/20 0.33
CYP2D6 P10635 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL10782 0.87 PIK3CD (0.38) PIK3CDSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL21938409 0.80 SHBG (0.35) PIK3CDSLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL19702055 0.79 PIK3CD (0.47) PIK3CD
SCHEMBL10064766 0.79 PIK3CD (0.66) PIK3CDPOLBSLC6A2SLC6A4SLC6A3
SCHEMBL6119943 0.79 PIK3CD (0.51) PIK3CDPOLBSLC6A2SLC6A4L3MBTL1
SCHEMBL6976305 0.79 SLC6A4 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL7992646 0.78 PIK3CD (0.50) PIK3CDPOLBSLC6A2SLC6A4L3MBTL1
SCHEMBL26854516 0.78 PIK3CD (0.50) PIK3CDSLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL19658845 0.76 TP53 (0.39) POLBCYP2D6SMN1; SMN2
SCHEMBL1911533 0.76 PIK3CD (0.47) PIK3CD

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
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-20120077787-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2012-03-29 US disclosed
US-8097617-B2 Organic compounds NOVARTIS AG (CH) 2012-01-17 US disclosed
US-20090253689-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-08 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-20120077787-A1 ORGANIC COMPOUNDS OAT, GPR119, OTC PIK3CD 2458/4885POLB 1417/4885SLC6A2 1971/4885
US-20090253689-A1 Organic Compounds OAT, GPR119, OTC PIK3CD 2458/4885POLB 1417/4885SLC6A2 1971/4885

“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.