SCHEMBL282618

SCHEMBL282618

COc1cc(N)ccc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.51
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
THRB P10828 1/20 0.49
NR1H2 P55055 1/20 0.49
STS P08842 1/20 0.48
HTT P42858 3/20 0.47
PDE4A P27815 2/20 0.47
PDE4C Q08493 2/20 0.47
PDE4D Q08499 2/20 0.47
GPR119 Q8TDV5 2/20 0.46
LMNA P02545 1/20 0.45
CTSD P07339 1/20 0.44
CTSE P14091 1/20 0.44
BACE1 P56817 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL31257859 1.00 PDE4B (0.51) PDE4BALDH1A1MEN1KMT2AKDM4E
SCHEMBL20242579 0.93 PDE4B (0.57) PDE4BALDH1A1MEN1KMT2AKDM4E
SCHEMBL20260763 0.93 PDE4B (0.57) PDE4BALDH1A1MEN1KMT2AKDM4E
SCHEMBL5515302 0.91 PDE4B (0.53) PDE4BALDH1A1MEN1KMT2AKDM4E
SCHEMBL20899575 0.87 MAPT (0.47) PDE4BALDH1A1MEN1KMT2AKDM4E
SCHEMBL17376133 0.86 PDE4B (0.51) PDE4BALDH1A1MEN1KMT2AKDM4E
SCHEMBL12713099 0.86 MEN1 (0.52) PDE4BMEN1KMT2AKDM4EMAPT
SCHEMBL1159547 0.85 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL31443726 0.85 NR1H2 (0.54) ALDH1A1KDM4EMAPTTHRBNR1H2
SCHEMBL30021635 0.85 MAPT (0.51) ALDH1A1MEN1KMT2AKDM4EMAPT

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 39 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
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE 2020-11-12 US 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
US-10807994-B2 Heterocyclic compounds and uses thereof NUVATION BIO INC. (US) 2020-10-20 US disclosed
US-10584103-B2 Small molecule agonists of neurotensin receptor 1 Sanford Burnham Prebys Medical Discovery Institute (US) 2020-03-10 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-04-11 US disclosed
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 US disclosed
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 Sanford Burnham Prebys Medical Discovery Institute 2019-01-24 US disclosed
US-8969336-B2 Diamino heterocyclic carboxamide compound ASTELLAS PHARMA INC. (JP) 2015-03-03 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
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 PDE4B 840/4885ALDH1A1 3294/4885MEN1 921/4885
US-20190106436-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 PDE4B 2422/4885ALDH1A1 2869/4885MEN1 326/4885
US-20140371196-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4B 819/4885ALDH1A1 1554/4885MEN1 724/4885
US-11261164-B2 Small molecule agonists of neurotensin receptor 1 NTSR1, NTSR2, VIPR1 PDE4B 840/4885ALDH1A1 3294/4885MEN1 921/4885
US-20200354324-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDE4B 840/4885ALDH1A1 3294/4885MEN1 921/4885
US-20120040968-A1 DIAMINO HETEROCYCLIC CARBOXAMIDE COMPOUND EML4, ALK, ERBB4 PDE4B 819/4885ALDH1A1 1554/4885MEN1 724/4885
US-20190023665-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDE4B 840/4885ALDH1A1 3294/4885MEN1 921/4885
US-10807994-B2 Heterocyclic compounds and uses thereof WEE1, WEE2, CCNE1 PDE4B 2950/4885ALDH1A1 1113/4885MEN1 171/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 PDE4B 2705/4885ALDH1A1 779/4885MEN1 3470/4885

“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.