SCHEMBL2881312

SCHEMBL2881312

CC1(C)c2ccc(N)cc2C(C)(C)N1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 5/20 0.35
TSHR P16473 2/20 0.35
PDE10A Q9Y233 1/20 0.35
ALDH1A1 P00352 5/20 0.34
PDK2 Q15119 2/20 0.34
FSHR P23945 1/20 0.34
CHEK1 O14757 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
RET P07949 1/20 0.33
MET P08581 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT1 P17948 1/20 0.33
LTK P29376 1/20 0.33
PRKX P51817 1/20 0.33
NEK2 P51955 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
MAP4K2 Q12851 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL1950126 0.83 PRKCI (0.35) CASP1TSHRPDE10AALDH1A1PDK2
SCHEMBL18529414 0.81 BACE1 (0.36) CASP1ALDH1A1FSHRCHEK1TAOK1
SCHEMBL14392379 0.79 PTK2 (0.40) THRBMEN1KMT2ATDP1ALOX15
SCHEMBL13447549 0.78 ALDH1A1 (0.33) CASP1TSHRALDH1A1MAPTMEN1
SCHEMBL14392370 0.77 GAA (0.35) TSHRALDH1A1MEN1KMT2ATDP1
SCHEMBL28717505 0.76 OPRD1 (0.35) ALDH1A1FSHRCHEK1PRKD3MAP4K4
SCHEMBL18620881 0.76 LMNA (0.38) ALDH1A1PDK2MAPTTHRBMEN1
SCHEMBL5908048 0.76 CYP3A4 (0.40) ALDH1A1MAPTTHRBMEN1KMT2A
SCHEMBL5593732 0.74 GAA (0.34) TSHRALDH1A1PDK2POLBPKM
SCHEMBL5604329 0.74 GABRA1 (0.31)

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-20240117121-A1 MULTIFUNCTIONAL NITROXIDE-MEDIATED POLYMERIZATION INITIATORS AND MULTI-ARMED POLYMERS AND HYDROGELS FORMED THEREFROM BOSTON SCIENTIFIC SCIMED, INC. (US) 2024-04-11 US disclosed
US-11820868-B2 Multifunctional nitroxide-mediated polymerization initiators and multi-armed polymers and hydrogels formed therefrom BOSTON SCIENTIFIC SCIMED, INC. (US) 2023-11-21 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20230144767-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2023-05-11 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
US-20210371460-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-12-02 US disclosed
WO-2021041227-A1 MULTIFUNCTIONAL NITROXIDE-MEDIATED POLYMERIZATION INITIATORS AND PRODUCTS FORMED THEREFROM BOSTON SCIENTIFIC SCIMED, INC. (US) 2021-03-04 WO disclosed
US-20210061957-A1 MULTIFUNCTIONAL NITROXIDE-MEDIATED POLYMERIZATION INITIATORS AND MULTI-ARMED POLYMERS AND HYDROGELS FORMED THEREFROM BOSTON SCIENTIFIC SCIMED, INC. 2021-03-04 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-20200317730-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-10-08 US disclosed
US-20130102626-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-04-25 US disclosed
US-8288551-B2 Targeted nitroxide agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-16 US disclosed
US-8288551-B2 Targeted nitroxide agents UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-10-16 US disclosed
WO-2012068081-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGATIS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-05-24 WO disclosed
US-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-07-14 US disclosed
WO-2010009405-A9 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-03-25 WO disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
US-20100035869-A1 TARGETED NITROXIDE AGENTS PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION, UNIVERSITY OF 2010-02-11 US disclosed
WO-2010009405-A2 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-01-21 WO disclosed
WO-2007124543-A1 PROFLUORESCENT NITROXIDE COMPOUNDS QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2007-11-08 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 (6 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-20110172214-A1 USE OF TARGETED NITROXIDE AGENTS IN PREVENTING, MITIGATING AND TREATING RADIATION INJURY TXNRD2, TXN2, HSPE1 CASP1 419/4885TSHR 4274/4885PDE10A 2640/4885
US-20200317730-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CASP1 547/4885TSHR 3984/4885PDE10A 2914/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CASP1 547/4885TSHR 3984/4885PDE10A 2914/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CASP1 547/4885TSHR 3984/4885PDE10A 2914/4885
US-20210371460-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CASP1 547/4885TSHR 3984/4885PDE10A 2914/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 CASP1 547/4885TSHR 3984/4885PDE10A 2914/4885

“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.