SCHEMBL17049064

SCHEMBL17049064

CCN(c1cnc(C(=O)OC)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 18/20 0.78
RXRB P28702 14/20 0.78
RXRG P48443 14/20 0.78
CYP3A4 P08684 1/20 0.37
RARB P10826 1/20 0.36
RARG P13631 1/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36

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
SCHEMBL17049098 0.88 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL17049092 0.85 RXRA (0.79) RXRARXRBRXRGCYP3A4RARB
SCHEMBL17049070 0.83 RXRA (0.78) RXRARXRBRXRGCYP3A4
SCHEMBL17049060 0.81 RXRA (0.78) RXRARXRBRXRGCYP3A4RARB
SCHEMBL17049100 0.77 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL17049055 0.76 RXRA (0.77) RXRARXRBRXRGCYP3A4RARB
SCHEMBL20411350 0.76 RXRA (0.77) RXRARXRBRXRGRARBRARG
SCHEMBL17053972 0.75 RXRA (0.77) RXRARXRBRXRGRARBRARG
SCHEMBL14212722 0.74 RXRA (0.52) RXRARXRBRXRGCYP3A4RARB
SCHEMBL17049097 0.73 RXRA (1.00) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-10005741-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-06-26 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-9908856-B2 Therapeutic compounds ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-03-06 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
US-20170008859-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2017-01-12 US disclosed
WO-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 WO disclosed
WO-2015130973-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2015-09-03 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 (3 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-20170008859-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN RXRA 674/4885RXRB 644/4885RXRG 545/4885
US-20180141921-A1 THERAPEUTIC COMPOUNDS IAPP, PARK7, NLN RXRA 674/4885RXRB 644/4885RXRG 545/4885
US-10005741-B2 Therapeutic compounds IAPP, PARK7, NLN RXRA 674/4885RXRB 644/4885RXRG 545/4885

“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.