SCHEMBL2933035

SCHEMBL2933035

CC(C)(C)OC(=O)N1C[C@H](CO)[C@@H](Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.49
NR1H2 P55055 3/20 0.48
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
NAMPT P43490 1/20 0.46
RORC P51449 1/20 0.46
PDE4B Q07343 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
KLK7 P49862 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
KLK5 Q9Y337 1/20 0.43
USP30 Q70CQ3 3/20 0.43
NR1H3 Q13133 2/20 0.42
TACR1 P25103 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2935805 1.00 STS (0.49) STSNR1H2JAK2JAK1NAMPT
SCHEMBL2936930 1.00 STS (0.49) STSNR1H2JAK2JAK1NAMPT
SCHEMBL8263390 0.88 STS (0.50) STSNR1H2JAK2JAK1NAMPT
SCHEMBL19358614 0.88 STS (0.50) STSNR1H2JAK2JAK1NAMPT
SCHEMBL5509395 0.88 STS (0.50) STSNR1H2JAK2JAK1NAMPT
SCHEMBL19358613 0.88 STS (0.50) STSNR1H2JAK2JAK1NAMPT
SCHEMBL2932416 0.87 NR1H2 (0.46) STSNR1H2JAK2JAK1NAMPT
SCHEMBL2932414 0.87 NR1H2 (0.46) STSNR1H2JAK2JAK1NAMPT
SCHEMBL3911170 0.86 STS (0.49) STSJAK2JAK1NAMPTRORC
SCHEMBL3911176 0.86 STS (0.49) STSJAK2JAK1NAMPTRORC

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 12 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
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
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ROGEL OLIVIER 2009-10-01 US disclosed
US-20090240045-A1 Organic Compounds NOVARTIS AG 2009-09-24 US disclosed
EP-2029544-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-03-04 EP disclosed
US-20080242683-A1 Organic Compounds NOVARTIS AG (CH) 2008-10-02 US disclosed
WO-2007140980-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-12-13 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20080242683-A1 Organic Compounds ADORA2A, ADORA3, ADORA1 STS 3318/4885NR1H2 464/4885JAK2 626/4885
US-20090247577-A1 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS BACE1, BACE2, APP STS 2525/4885NR1H2 3804/4885JAK2 3614/4885
US-20100087427-A1 PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF A DISEASE DEPENDING ON THE ACTIVITY OF RENIN REN, ACE, PEPD STS 1012/4885NR1H2 2641/4885JAK2 1170/4885
US-20090240045-A1 Organic Compounds CYP3A43, CYP3A4, SLCO1B3 STS 578/4885NR1H2 182/4885JAK2 464/4885

“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.