SCHEMBL2648629

SCHEMBL2648629

O=C(C=Cc1ccccc1)N1CCC(N(C(=O)Nc2ncc(Cl)s2)C2CCCCC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
C3AR1 Q16581 1/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.41
TRPM8 Q7Z2W7 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2648625 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTHPGD
SCHEMBL998736 0.86 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL998734 0.86 ALDH1A1 (0.43) SMN1; SMN2KMT2AMEN1ALDH1A1GAA
SCHEMBL999027 0.84 CYP3A4 (0.43) MAPT
SCHEMBL999942 0.81 MAPT (0.41) SMN1; SMN2MAPT
SCHEMBL999404 0.81 MAPT (0.41) SMN1; SMN2MAPT
SCHEMBL999907 0.81 MAPT (0.53) MAPTALDH1A1L3MBTL1
SCHEMBL999835 0.81 MAPT (0.41) MAPT
SCHEMBL2649595 0.81 MAPT (0.53) MAPTALDH1A1L3MBTL1
SCHEMBL998248 0.81 MAPT (0.41) SMN1; SMN2MAPT

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 4 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
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 SMN1; SMN2 4814/4885NPC1 2090/4885RAB9A 2950/4885

“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.