SCHEMBL24143545

SCHEMBL24143545

CC(C)Cn1cc(CCN)c2cc(-c3ccncc3)ccc21

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 9/20 0.55
▸ ICMT O60725 8/20 0.54
▸ KCNH2 Q12809 1/20 0.47
▸ DYRK1A Q13627 1/20 0.47
▸ XDH P47989 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL24142979 0.90 NR1D1 (0.67) NR1D1ICMTKCNH2DYRK1A
SCHEMBL24143622 0.83 NR1D1 (0.64) NR1D1ICMTKCNH2DYRK1A
SCHEMBL24143676 0.82 KCNH2 (0.50) NR1D1ICMTKCNH2DYRK1AAAK1
SCHEMBL24143591 0.81 NR1D1 (0.64) NR1D1ICMTAAK1
SCHEMBL24144895 0.80 NR1D1 (0.59) NR1D1ICMTKCNH2DYRK1A
SCHEMBL24143308 0.80 NR1D1 (0.63) NR1D1ICMTKCNH2DYRK1AAAK1
SCHEMBL24143542 0.79 NR1D1 (0.53) NR1D1AAK1
SCHEMBL24142955 0.78 ICMT (0.44) NR1D1ICMT
SCHEMBL24143626 0.78 ICMT (0.56) NR1D1ICMT
SCHEMBL24144015 0.78 NR1D1 (0.63) NR1D1ICMT

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-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 4883/4885KCNH2 4644/4885

“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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