SCHEMBL2933073

SCHEMBL2933073

CC(C)c1cccc(C2CN(C(=O)OC(C)(C)C)CC2CO)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 8/20 0.56
RORC P51449 1/20 0.44
PDE4A P27815 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
TACR1 P25103 5/20 0.42
NOTCH1 P46531 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR1H2 P55055 1/20 0.41
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
NAMPT P43490 1/20 0.38
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL2933074 1.00 PDE4B (0.56) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL4008250 0.84 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL4009383 0.84 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL13809446 0.84 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL6104661 0.84 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL14495628 0.84 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL14498551 0.84 PDE4B (0.57) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL2343146 0.84 RORC (0.60) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL4247036 0.84 RORC (0.60) PDE4BRORCPDE4APDE4CPDE4D
SCHEMBL13809297 0.84 RORC (0.60) PDE4BRORCPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836163-B1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2010-09-22 EP disclosed
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US disclosed
EP-1836163-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN Novartis AG (CH) 2007-09-26 EP disclosed
WO-2006066896-A2 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN NOVARTIS AG (CH) 2006-06-29 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-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD PDE4B 377/4885RORC 1425/4885PDE4A 366/4885

“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.