SCHEMBL1014375

SCHEMBL1014375

CC(C)(C)OC(=O)N1C[C@H](CCc2ccccc2)[C@@H](C(=O)O)C1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.48
PPARA Q07869 7/20 0.48
TACR1 P25103 2/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
STS P08842 1/20 0.44
NAMPT P43490 1/20 0.44
RORC P51449 1/20 0.43
GPR119 Q8TDV5 2/20 0.43
PDE4B Q07343 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL2935226 1.00 PPARG (0.48) PPARGPPARATACR1JAK2JAK1
SCHEMBL4505302 0.92 JAK2 (0.53) PPARGPPARATACR1JAK2JAK1
SCHEMBL1013868 0.90 PDE4B (0.49) TACR1JAK2JAK1STSNAMPT
SCHEMBL1013992 0.88 PPARG (0.47) PPARGPPARATACR1NAMPTPDE4B
SCHEMBL1573158 0.88 JAK2 (0.46) TACR1JAK2JAK1STSNAMPT
SCHEMBL1573262 0.88 JAK2 (0.46) TACR1JAK2JAK1STSNAMPT
SCHEMBL3916256 0.88 STS (0.48) PPARGPPARATACR1JAK2JAK1
SCHEMBL2934462 0.88 STS (0.48) PPARGPPARATACR1JAK2JAK1
SCHEMBL2934459 0.88 STS (0.48) PPARGPPARATACR1JAK2JAK1
SCHEMBL8263544 0.88 PPARG (0.47) PPARGPPARATACR1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 EP disclosed
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
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
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN BREITENSTEIN WERNER 2010-04-08 US 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-2007787-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES Novartis AG (CH) 2008-12-31 EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 US disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO disclosed
WO-2007121124-A2 HCV INHIBITORS COMPRISING BETA AMINO ACIDS AND THEIR USES NOVARTIS AG (CH) 2007-10-25 WO 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
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 (2 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 PPARG 1227/4885PPARA 1349/4885TACR1 438/4885
US-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 PPARG 305/4885PPARA 593/4885TACR1 2139/4885

“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.