SCHEMBL12420565

SCHEMBL12420565

O=C(O)C1[C@H]2CC3(Br)CC(Br)(C[C@H]1C3)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.35
GRM6 O15303 7/20 0.35
GRM3 Q14832 7/20 0.35
GRM5 P41594 4/20 0.35
GRM1 Q13255 3/20 0.35
GRM4 Q14833 3/20 0.35
CYP2C19 P33261 1/20 0.33
APLNR P35414 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
PMP22 Q01453 1/20 0.31
TFPI2 P48307 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 1/20 0.31
NFKB1 P19838 1/20 0.31
THPO P40225 1/20 0.31

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
SCHEMBL1923010 1.00 GRM2 (0.35) GRM2GRM6GRM3GRM5GRM1
SCHEMBL19798634 0.79
SCHEMBL19798635 0.69
SCHEMBL9877362 0.66
SCHEMBL29099215 0.64 POLB (0.43) GRM2GRM6GRM3GRM5GRM1
SCHEMBL1536316 0.64
SCHEMBL967161 0.64 POLB (0.48) GRM2GRM6GRM3GRM5GRM1
SCHEMBL7163019 0.62
SCHEMBL17326818 0.60 GRM1 (0.46) GRM2GRM6GRM3GRM5GRM1
SCHEMBL1893785 0.60 GRM5 (0.34) GRM2GRM6GRM3GRM5GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-9890192-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-02-13 US disclosed
US-20160137692-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2016-05-19 US disclosed
US-9216976-B2 Targeted nitroxide agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2015-12-22 US disclosed
US-20140378444-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-12-25 US disclosed
EP-2328875-B1 TARGETED NITROXIDE AGENTS UNIV PITTSBURGH (US) 2014-10-15 EP disclosed
US-8822541-B2 Use of targeted nitroxide agents in mitigating or treating radiation injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-09-02 US disclosed
US-8822541-B2 Use of targeted nitroxide agents in mitigating or treating radiation injury University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2014-09-02 US disclosed
US-20140199368-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS University of Pittsburg-Of the Commonwealth System of Higher Education-Office of Technolology Manage (US) 2014-07-17 US disclosed
US-20130102626-A1 TARGETED NITROXIDE AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2013-04-25 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
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
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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 GRM2 2673/4885GRM6 2641/4885GRM3 3505/4885
US-20160137692-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GRM2 2164/4885GRM6 2273/4885GRM3 3112/4885
US-20100035869-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GRM2 2164/4885GRM6 2273/4885GRM3 3112/4885
US-20230144767-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GRM2 2164/4885GRM6 2273/4885GRM3 3112/4885
US-20140378444-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GRM2 2164/4885GRM6 2273/4885GRM3 3112/4885
US-20140199368-A1 INTRAESOPHAGEAL ADMINISTRATION OF TARGETED NITROXIDE AGENTS FOR PROTECTION AGAINST IONIZING IRRADIATION-INDUCED ESOPHAGITIS HSPE1, HSPA9, HSPD1 GRM2 2271/4885GRM6 2807/4885GRM3 2792/4885
US-20130102626-A1 TARGETED NITROXIDE AGENTS TXNRD2, TXN2, HSPE1 GRM2 2164/4885GRM6 2273/4885GRM3 3112/4885

“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.