SCHEMBL24143591

SCHEMBL24143591

CC(C)Cc1cn(CCN)c2ccc(-c3ccncc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 6/20 0.64
▸ ICMT O60725 9/20 0.43
▸ SCN9A Q15858 1/20 0.40
▸ AAK1 Q2M2I8 1/20 0.40
▸ NR4A2 P43354 1/20 0.39

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
SCHEMBL24144535 0.89 NR1D1 (0.66) NR1D1ICMTSCN9AAAK1
SCHEMBL24144536 0.86 NR1D1 (0.71) NR1D1ICMTSCN9AAAK1NR4A2
SCHEMBL24143156 0.81 NR1D1 (0.66) NR1D1
SCHEMBL24143545 0.81 NR1D1 (0.55) NR1D1ICMTAAK1
SCHEMBL24143029 0.79 NR1D1 (1.00) NR1D1
SCHEMBL26673713 0.77 NR1D1 (0.61) NR1D1ICMTSCN9AAAK1NR4A2
SCHEMBL24143542 0.76 NR1D1 (0.53) NR1D1AAK1
SCHEMBL24144496 0.73 NR1D1 (0.61) NR1D1ICMTAAK1
SCHEMBL24142979 0.73 NR1D1 (0.67) NR1D1ICMT
SCHEMBL24143308 0.72 NR1D1 (0.63) NR1D1ICMTAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — US disclosed
US-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2023-10-26 — — US disclosed
WO-2021263278-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS THE SCRIPPS RESEARCH INSTITUTE (US) 2021-12-30 — — 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 (1 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-20230339886-A1 REV-ERB AGONISTS FOR THE TREATMENT OF TH17-MEDIATED INFLAMMATORY DISORDERS NR1H2, NR1H3, NR1D1 NR1D1 3/4885ICMT 4883/4885SCN9A 3774/4885

“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.

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