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SCHEMBL2648801

SCHEMBL2648801

CC(=O)N1CCC(N(C(=O)Nc2ncc(SCC(=O)N3CCCCC3)s2)[C@H]2CC[C@H](C)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ MAPT P10636 4/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ ITK Q08881 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CCNE2 O96020 3/20 0.39
▸ CCNE1 P24864 3/20 0.39
▸ CDK2 P24941 3/20 0.39
▸ CCNB2 O95067 2/20 0.39
▸ CDK1 P06493 2/20 0.39
▸ CDK4 P11802 2/20 0.39
▸ CCNB1 P14635 2/20 0.39
▸ CCND1 P24385 2/20 0.39
▸ CCNB3 Q8WWL7 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ NPC1 O15118 2/20 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
SCHEMBL2648804 1.00 ALDH1A1 (0.48) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL2648156 0.92 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL2648153 0.92 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL9072634 0.90 CDK2 (0.40) ALDH1A1L3MBTL1MAPTITKSMN1; SMN2
SCHEMBL1002441 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL999326 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL999288 0.89 MAPT (0.46) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL2648695 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL2648698 0.89 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTMAPK1ITK
SCHEMBL999696 0.87 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTMAPK1ITK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
US-7582769-B2 Dicycloalkyl urea glucokinase activators NOVO NORDISK A/S (DK) 2009-09-01 — — US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — US disclosed
US-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 — — US disclosed
EP-1904466-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2008-04-02 — — EP disclosed
WO-2007006760-A1 DICYCLOALKYL UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 — — 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators GCK, GCKR, UCK2 ALDH1A1 3782/4885L3MBTL1 3512/4885MAPT 2197/4885

“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.