SCHEMBL8264378

SCHEMBL8264378

CC(C)(C)OC(=O)N1CC[C@H](c2cccc(-c3ccc(O)cc3)c2)[C@@H](C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.49
USP30 Q70CQ3 8/20 0.48
PDE4B Q07343 1/20 0.46
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
SRC P12931 2/20 0.43
PIK3CD O00329 2/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
ABL2 P42684 1/20 0.43
NR1H2 P55055 3/20 0.42
RXRA P19793 2/20 0.42
NR1H3 Q13133 2/20 0.42
GPR119 Q8TDV5 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PIK3CG P48736 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
SCHEMBL8265031 0.94 TACR1 (0.55) TACR1USP30PDE4BPTPN2PTPN1
SCHEMBL13617897 0.94 TACR1 (0.55) TACR1USP30PDE4BPTPN2PTPN1
SCHEMBL2245296 0.94 TACR1 (0.55) TACR1USP30PDE4BPTPN2PTPN1
SCHEMBL12054657 0.94 TACR1 (0.55) TACR1USP30PDE4BPTPN2PTPN1
SCHEMBL2239759 0.94 TACR1 (0.55) TACR1USP30PDE4BPTPN2PTPN1
SCHEMBL8265507 0.89 TACR1 (0.53) TACR1USP30PDE4BSRCABL1
SCHEMBL10184205 0.87 USP30 (0.52) TACR1USP30PDE4BSRCABL1
SCHEMBL8263747 0.87 USP30 (0.52) TACR1USP30PDE4BSRCABL1
SCHEMBL3195542 0.86 USP30 (0.57) TACR1USP30PDE4BPTPN2PTPN1
SCHEMBL3201656 0.86 USP30 (0.57) TACR1USP30PDE4BPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
EP-2177518-A1 Organic compounds Novartis AG (CH) 2010-04-21 EP disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-1833816-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2009-11-11 EP disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 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-20110263560-A1 Organic Compounds REN, ACE, OTC TACR1 433/4885USP30 3528/4885PDE4B 457/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO TACR1 475/4885USP30 3470/4885PDE4B 543/4885

“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.