Sugi Predict

Sugi Predict / Compounds / SCHEMBL8264209

SCHEMBL8264209

SCHEMBL8264209

COc1cccc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(-c3ccccc3)c2)C2CC2)c1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.45
▸ USP30 Q70CQ3 5/20 0.42
▸ PDE4B Q07343 5/20 0.39
▸ REN P00797 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ CD274 Q9NZQ7 1/20 0.39
▸ APLNR P35414 1/20 0.38
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ PIK3CG P48736 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ ALOX12 P18054 1/20 0.37

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
SCHEMBL8264188 0.92 TACR1 (0.46) TACR1USP30RENJAK2JAK1
SCHEMBL8266141 0.88 TACR1 (0.47) TACR1USP30RENJAK2JAK1
SCHEMBL8265069 0.87 TACR1 (0.41) TACR1USP30RENJAK2JAK1
SCHEMBL8260754 0.86 REN (0.48) TACR1USP30RENJAK2JAK1
SCHEMBL8265950 0.86 USP30 (0.42) TACR1USP30PDE4BRENJAK2
SCHEMBL8263725 0.86 GPR119 (0.43) TACR1USP30RENJAK2JAK1
SCHEMBL8265387 0.86 TACR1 (0.42) TACR1USP30RENJAK2JAK1
SCHEMBL8265078 0.85 TACR1 (0.46) TACR1USP30RENJAK2JAK1
SCHEMBL8265393 0.84 USP30 (0.43) TACR1USP30RENJAK2JAK1
SCHEMBL3096286 0.84 TACR1 (0.40) TACR1PDE4BRENJAK2JAK1

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.