SCHEMBL20173701

SCHEMBL20173701

CCN(c1ncc(C)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RXRA P19793 20/20 0.73
RXRB P28702 17/20 0.73
RXRG P48443 17/20 0.73
PPARG P37231 2/20 0.37
NR1H3 Q13133 1/20 0.37
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 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
SCHEMBL17049097 0.85 RXRA (1.00) RXRARXRBRXRGPPARGNR1H3
SCHEMBL20306006 0.84 RXRA (0.55) RXRARXRBRXRGPPARGNR1H3
SCHEMBL17049060 0.82 RXRA (0.78) RXRARXRBRXRGPPARGNR1H3
SCHEMBL5179730 0.75 RXRA (0.83) RXRARXRBRXRGPPARGNR1H3
SCHEMBL17049098 0.74 RXRA (1.00) RXRARXRBRXRGPPARGRARA
SCHEMBL5178703 0.73 RXRA (0.65) RXRARXRBRXRGPPARGNR1H3
SCHEMBL20411364 0.72 RXRA (0.77) RXRARXRBRXRGPPARGNR1H3
SCHEMBL17049100 0.72 RXRA (1.00) RXRARXRBRXRGPPARGRARA
SCHEMBL17053971 0.71 RXRA (0.76) RXRARXRBRXRGPPARGNR1H3
SCHEMBL5179608 0.71 RXRA (0.76) RXRARXRBRXRGPPARGNR1H3

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 2 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-20180141921-A1 THERAPEUTIC COMPOUNDS ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2018-05-24 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 (2 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-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.