Sugi Predict

Sugi Predict / Compounds / SCHEMBL2647837

SCHEMBL2647837

SCHEMBL2647837

CC(C)C1CCC(NC2CCCCC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ ADH1B P00325 2/20 0.36
▸ ADH1C P00326 2/20 0.36
▸ ADH1A P07327 2/20 0.36
▸ ADH4 P08319 1/20 0.36
▸ SHBG P04278 1/20 0.36
▸ ATM Q13315 2/20 0.34
▸ THRB P10828 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EPHX1 P07099 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ ADH7 P40394 1/20 0.32

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
SCHEMBL2647834 1.00 ALDH1A1 (0.57) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL2650354 1.00 ALDH1A1 (0.57) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL2650357 1.00 ALDH1A1 (0.57) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL2647865 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL14519164 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL1001868 0.98 ALDH1A1 (0.52) ALDH1A1HSD17B10ADH1BADH1CADH1A
SCHEMBL19993506 0.90 ALDH1A1 (0.38) ALDH1A1HSD17B10
SCHEMBL7739164 0.82 SHBG (0.48) ALDH1A1HSD17B10SHBGEPHX1CA12
SCHEMBL5412 0.82 SHBG (0.48) ALDH1A1HSD17B10SHBGEPHX1CA12
SCHEMBL21575869 0.82 SHBG (0.48) ALDH1A1HSD17B10SHBGEPHX1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108047058-A N, N- dimethyl -4- cyclohexylamino cyclohexyl-methanes and its preparation method and application 万华化学集团股份有限公司 2018-05-18 — — CN claimed
CN-108047058-A N, N- dimethyl -4- cyclohexylamino cyclohexyl-methanes and its preparation method and application 万华化学集团股份有限公司 2018-05-18 — — CN disclosed
CN-108047058-A N, N- dimethyl -4- cyclohexylamino cyclohexyl-methanes and its preparation method and application 万华化学集团股份有限公司 2018-05-18 — — CN 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
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 3782/4885HSD17B10 1699/4885ADH1B 2777/4885

“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.