SCHEMBL89951

SCHEMBL89951

COCCC(=O)N1CC(C)(C)Oc2ccc(N)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.33
ALDH1A1 P00352 4/20 0.31
PIK3CD O00329 3/20 0.31
PIK3CA P42336 3/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
JAK3 P52333 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 4/20 0.31
GLA P06280 3/20 0.31
GAA P10253 3/20 0.31
HPGD P15428 3/20 0.31
NPC1 O15118 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
P2RY1 P47900 1/20 0.31
REN P00797 1/20 0.30
CASP1 P29466 1/20 0.30

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
SCHEMBL15087881 0.86 FGFR4 (0.33) FGFR4ALDH1A1MAPTHTTPOLB
SCHEMBL449911 0.80 NOTUM (0.40) FGFR4ALDH1A1MAPTKMT2AKDM4E
SCHEMBL691049 0.76 NR1H2 (0.42) FGFR4P2RY1
SCHEMBL16101587 0.76 FGFR4 (0.47) FGFR4MAPTCTSDBACE1JAK3
SCHEMBL1911397 0.71 REN (0.40) REN
SCHEMBL448820 0.71 MAPT (0.38) ALDH1A1MAPTHTTCTSDBACE1
SCHEMBL15337549 0.66 REN (0.53) ALDH1A1MAPTPOLBKMT2AGAA
SCHEMBL7426503 0.65 MAPT (0.33) ALDH1A1MAPTHTTCTSDBACE1
SCHEMBL427069 0.65 NOTUM (0.43) ALDH1A1MAPTHTTKMT2AGAA
SCHEMBL13461184 0.65 AKT1 (0.38) ALDH1A1MAPTKMT2AKDM4EGAA

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 5 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

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 FGFR4 2978/4885ALDH1A1 38/4885PIK3CD 1968/4885

“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.