SCHEMBL89886

SCHEMBL89886

CC(C)CC1(C#N)CCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSL P07711 1/20 0.37
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TSHR P16473 2/20 0.35
ALOX15 P16050 1/20 0.35
CYP11B2 P19099 1/20 0.35
USP30 Q70CQ3 1/20 0.34
SCD5 Q86SK9 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
SCHEMBL1821374 0.92 USP2 (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL31451925 0.85 CTSK (0.42) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16414999 0.83 CYP4F2 (0.41) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16414783 0.83 CTSK (0.40) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL6187275 0.82 USP2 (0.40) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL16415241 0.81 CTSK (0.39) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL89880 0.80 USP2 (0.40) USP2SMN1; SMN2TSHRALOX15CYP11B2
SCHEMBL31171511 0.80 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL31171534 0.80 CTSK (0.38) CTSKMEN1ALDH1A1MAPTKMT2A
SCHEMBL23071129 0.79 USP2 (0.45) CTSKMEN1ALDH1A1MAPTKMT2A

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 CTSK 863/4885MEN1 2336/4885ALDH1A1 38/4885

“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.