SCHEMBL282496

SCHEMBL282496

COc1cc([N+](=O)[O-])ccc1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK4 Q16654 1/20 0.50
GRM1 Q13255 9/20 0.48
GRM5 P41594 8/20 0.48
MAPT P10636 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
HTR6 P50406 1/20 0.44
JAK1 P23458 1/20 0.44
MEN1 O00255 1/20 0.44
CRHBP P24387 1/20 0.44
KMT2A Q03164 1/20 0.44
CRHR2 Q13324 1/20 0.44
CNR1 P21554 1/20 0.43
NAMPT P43490 1/20 0.43
SCN9A Q15858 1/20 0.41
ADAM10 O14672 1/20 0.41
ERBB2 P04626 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
SCHEMBL5511380 0.92 PDK4 (0.50) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL20242199 0.90 ALDH1A1 (0.47) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL522085 0.88 PDK4 (0.52) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL29864873 0.88 PDK4 (0.52) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL29535433 0.87 PDK4 (0.51) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL10036179 0.87 PDK4 (0.51) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL16385571 0.87 PDK4 (0.51) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL6365955 0.85 PDK4 (0.52) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL31443827 0.85 PDK4 (0.48) PDK4GRM1GRM5MAPTALDH1A1
SCHEMBL16824861 0.85 PDK4 (0.49) PDK4GRM1GRM5MAPTALDH1A1

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2022-03-01 US disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US disclosed
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
EP-3694509-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
US-10584103-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-10 US disclosed
EP-3517536-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2019-07-31 EP disclosed
WO-2019074981-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GiraFpharma LLC (US) 2019-04-18 WO disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND ASTELLAS PHARMA INC. (JP) 2014-12-18 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO disclosed
EP-2428508-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND Astellas Pharma Inc. (JP) 2012-03-14 EP disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND WATERS TECHNOLOGIES CORPORATION (US) 2012-02-16 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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 (9 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-10584103-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM1 104/4885GRM5 264/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PDK4 645/4885GRM1 4132/4885GRM5 4272/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDK4 267/4885GRM1 947/4885GRM5 1237/4885
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM1 104/4885GRM5 264/4885
US-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS PDK4 1636/4885GRM1 2914/4885GRM5 3222/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDK4 4787/4885GRM1 104/4885GRM5 264/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDK4 267/4885GRM1 947/4885GRM5 1237/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 PDK4 419/4885GRM1 4112/4885GRM5 4420/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PDK4 685/4885GRM1 3535/4885GRM5 3497/4885

“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.