SCHEMBL90257

SCHEMBL90257

COCC(C)(COC)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.40
CA14 Q9ULX7 3/20 0.40
CA2 P00918 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
AAK1 Q2M2I8 9/20 0.39
DGAT1 O75907 1/20 0.39
CA1 P00915 2/20 0.38
CA7 P43166 2/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.36
CTSK P43235 1/20 0.34

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
SCHEMBL18138208 0.90 TDP1 (0.40) CA12CA14CA2TDP1AAK1
SCHEMBL24826951 0.85 AAK1 (0.33) CA12CA14CA2TDP1AAK1
SCHEMBL25375682 0.84 CTSK (0.38) CA12CA14CA2TDP1AAK1
SCHEMBL25375678 0.84 CTSK (0.38) CA12CA14CA2TDP1AAK1
SCHEMBL7923566 0.83 CA2 (0.42) CA12CA14CA2TDP1DGAT1
SCHEMBL24826917 0.80 AAK1 (0.37) CA12CA14CA2TDP1AAK1
SCHEMBL31346359 0.80 DGAT1 (0.45) CA12CA14CA2TDP1AAK1
SCHEMBL23508993 0.79 CA1 (0.43) CA12CA14CA2TDP1AAK1
SCHEMBL31346484 0.79 MEN1 (0.38) CA12CA14CA2TDP1DGAT1
SCHEMBL55502 0.78 TDP1 (0.46) CA12CA14CA2TDP1AAK1

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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
EP-2420491-A1 3 , 5-substitued piperidine compounds as renin inhibitors Novartis AG (CH) 2012-02-22 EP disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
WO-2007077005-A1 3 , 5-SUBSTITΓUED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS NOVARTIS AG (CH) 2007-07-12 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 (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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 CA12 2906/4885CA14 2723/4885CA2 562/4885

“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.