SCHEMBL3403168

SCHEMBL3403168

CC(C)NC[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CO

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
PDE4B Q07343 2/20 0.42
NAMPT P43490 1/20 0.40
EPHX1 P07099 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV3 Q8NET8 2/20 0.37
HPGD P15428 1/20 0.37
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
EPHX2 P34913 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
SCHEMBL3370527 1.00 NR1H2 (0.50) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL3370523 1.00 NR1H2 (0.50) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL13068571 1.00 NR1H2 (0.50) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL13438547 0.87 NR1H2 (0.44) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL2937360 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL1014216 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL30721755 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL2930155 0.85 NR1H2 (0.65) NR1H2PDE4BNAMPTEPHX1ALDH1A1
SCHEMBL24392671 0.82 NAMPT (0.52) NR1H2NAMPTEPHX1ALDH1A1MAPT
SCHEMBL13177251 0.82 NR1H2 (0.39) NR1H2PDE4BNAMPTEPHX1ALDH1A1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 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-20080194549-A1 Organic Compounds REN, ACE, OTC NR1H2 2620/4885PDE4B 1099/4885NAMPT 2289/4885

“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.