SCHEMBL2649979

SCHEMBL2649979

c1ccc(COC[C@H]2CC[C@H](NC3CCCCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
SGMS2 Q8NHU3 1/20 0.42
FOXM1 Q08050 1/20 0.42
EPHX2 P34913 1/20 0.42
NAAA Q02083 1/20 0.42
TSHR P16473 1/20 0.41
EPHX1 P07099 1/20 0.41

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
SCHEMBL2649981 1.00 ALDH1A1 (0.45) ALDH1A1CTSLCTSBCTSKSGMS2
SCHEMBL2701945 0.85 CTSL (0.53) CTSLCTSBCTSKNAAATSHR
Hydrochloric Acid SCHEMBL30384626 0.84 CTSL (0.51) CTSLCTSBCTSKNAAATSHR
SCHEMBL4677170 0.84 TSHR (0.54) CTSLCTSBCTSKNAAATSHR
SCHEMBL17019782 0.83 TSHR (0.58) CTSLCTSBCTSKNAAATSHR
SCHEMBL1928095 0.83 TSHR (0.58) CTSLCTSBCTSKNAAATSHR
SCHEMBL6649338 0.80 TSHR (0.54) CTSLCTSBCTSKNAAATSHR
SCHEMBL2647771 0.78 CARM1 (0.47) ALDH1A1
SCHEMBL2647944 0.78 EPHX2 (0.48) ALDH1A1CTSLCTSBCTSKSGMS2
SCHEMBL2648383 0.78 CARM1 (0.47) ALDH1A1

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 5 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-20090118501-A1 Dicycloalkyl Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2009-05-07 US disclosed
CN-101258137-A Dicycloalkyl urea glucokinase activators NOVO NORDISK AS (DK) 2008-09-03 CN 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 3782/4885CTSL 394/4885CTSB 911/4885

“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.