SCHEMBL90531

SCHEMBL90531

CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.63
CA2 P00918 2/20 0.63
CA7 P43166 2/20 0.63
CYP2D6 P10635 1/20 0.49
CTSK P43235 4/20 0.48
CTSS P25774 2/20 0.48
CTSL P07711 2/20 0.48
CTSB P07858 1/20 0.48
CA4 P22748 1/20 0.44
CA9 Q16790 1/20 0.44
CAPN1 P07384 1/20 0.42
AAK1 Q2M2I8 1/20 0.41

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
SCHEMBL16690468 1.00 CA1 (0.63) CA1CA2CA7CYP2D6CTSK
SCHEMBL13932833 0.88 CA1 (0.74) CA1CA2CA7CYP2D6CTSK
SCHEMBL18997946 0.88 CA1 (0.74) CA1CA2CA7CYP2D6CTSK
SCHEMBL13932825 0.88 CA1 (0.74) CA1CA2CA7CYP2D6CTSK
SCHEMBL10573143 0.86 CA1 (0.62) CA1CA2CA7CYP2D6CTSK
SCHEMBL15614935 0.86 CA1 (0.62) CA1CA2CA7CYP2D6CTSK
Hydrochloric Acid SCHEMBL7432944 0.85 CA1 (0.60) CA1CA2CA7CYP2D6CTSK
SCHEMBL4597828 0.83 CA1 (0.58) CA1CA2CA7CYP2D6CTSK
SCHEMBL7372114 0.83 CTSS (0.55) CA1CA2CA7CTSKCTSS
SCHEMBL10682498 0.83 CA1 (0.51) CA1CA2CA7CYP2D6CTSK

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 CA1 2037/4885CA2 562/4885CA7 1717/4885

“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.