SCHEMBL2807244

SCHEMBL2807244

CC(C)(C)OC(=O)N1CCC(c2cccc(Br)c2)C(O)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48
PTK2 Q05397 1/20 0.48
USP30 Q70CQ3 4/20 0.46
TACR1 P25103 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
NOTCH1 P46531 4/20 0.44
RORC P51449 3/20 0.43
STS P08842 1/20 0.43
PDE4B Q07343 1/20 0.42
HRH3 Q9Y5N1 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
SCHEMBL2807246 1.00 JAK2 (0.48) JAK2JAK3PTK2USP30TACR1
SCHEMBL7841659 0.87 GPR119 (0.56) JAK2JAK3PTK2USP30TACR1
SCHEMBL7841657 0.87 GPR119 (0.56) JAK2JAK3PTK2USP30TACR1
SCHEMBL7842833 0.87 GPR119 (0.56) JAK2JAK3PTK2USP30TACR1
SCHEMBL10182023 0.87 TACR1 (0.52) USP30TACR1GPR119NOTCH1RORC
SCHEMBL2640452 0.86 JAK2 (0.48) JAK2JAK3PTK2USP30TACR1
SCHEMBL18618133 0.86 STS (0.52) JAK2JAK3PTK2USP30TACR1
SCHEMBL2640450 0.86 JAK2 (0.48) JAK2JAK3PTK2USP30TACR1
SCHEMBL24495119 0.86 RORC (0.49) USP30TACR1GPR119RORCPDE4B
SCHEMBL16799262 0.86 RORC (0.49) USP30TACR1GPR119RORCPDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362040-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2013-01-29 US disclosed
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2010-09-23 US disclosed
US-7754727-B2 4-phenylpiperidine derivatives as renin inhibitors NOVARTIS AG (CH) 2010-07-13 US disclosed
EP-1689712-B1 4-PHENYLPIPERIDINE DERIVATIVES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP disclosed
US-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors NOVARTIS AG (CH) 2008-10-30 US disclosed
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors SEDRANI RICHARD 2007-04-05 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 (3 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-20080269255-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE JAK2 3435/4885JAK3 4418/4885PTK2 536/4885
US-20100240679-A1 4-Phenylpiperidine Derivatives as Renin Inhibitors REN, AGTR1, ACE JAK2 3358/4885JAK3 4344/4885PTK2 590/4885
US-20070078164-A1 4-Phenylpiperidine derivatives as renin inhibitors REN, AGTR1, ACE JAK2 3358/4885JAK3 4344/4885PTK2 590/4885

“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.