SCHEMBL30592469

SCHEMBL30592469

CC(C)Cc1cn(CCNC(=O)OC(C)(C)C)c2ccc(Br)cc12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CAMK2D Q13557 1/20 0.46
▸ AAK1 Q2M2I8 7/20 0.41
▸ NR1D1 P20393 1/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CNR2 P34972 2/20 0.39
▸ KRAS P01116 1/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ TBXA2R P21731 1/20 0.38
▸ PTGER1 P34995 1/20 0.38
▸ PTGER3 P43115 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
SCHEMBL26673710 1.00 CAMK2D (0.46) CAMK2DAAK1NR1D1SMN1; SMN2HDAC10
SCHEMBL26673713 0.84 NR1D1 (0.61) AAK1NR1D1
SCHEMBL30592458 0.82 NR1D1 (0.42) CAMK2DAAK1NR1D1
SCHEMBL26673721 0.82 NR1D1 (0.42) CAMK2DAAK1NR1D1
SCHEMBL24144137 0.79 NR1D1 (0.46) NR1D1SMN1; SMN2GAACNR2CNR1
SCHEMBL21614209 0.78 MTNR1A (0.53) CAMK2D
SCHEMBL18918098 0.75 CAMK2D (0.42) CAMK2DSMN1; SMN2HDAC10HDAC6CNR2
SCHEMBL24144136 0.75 CYP19A1 (0.44) NR1D1SMN1; SMN2CNR2CNR1TBXA2R
SCHEMBL24144934 0.74 NR1D1 (0.42) NR1D1SMN1; SMN2IDO1GAACNR2
SCHEMBL18926956 0.74 DYRK1A (0.47) CAMK2DHDAC6

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 1 patent. 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

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 CAMK2D 1414/4885AAK1 2696/4885NR1D1 3/4885

“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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