SCHEMBL739595

SCHEMBL739595

Fc1ccc(F)c(NCC2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
POLB P06746 2/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4C Q9H3R0 2/20 0.39
HTR2C P28335 1/20 0.39
AOC1 P19801 1/20 0.38
AOC3 Q16853 1/20 0.38
ALDH1A1 P00352 2/20 0.38
OPRL1 P41146 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ASPH Q12797 1/20 0.38
RIOX2 Q8IUF8 1/20 0.38
KDM8 Q8N371 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
SCHEMBL1242071 0.86 CNR1 (0.50) NPC1RAB9ACNR1CNR2POLB
SCHEMBL6229052 0.77 KMT2A (0.46) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL1240858 0.77 EPHX2 (0.46) IDO1TDO2KDM4CAOC1AOC3
SCHEMBL8175174 0.76 SMN1; SMN2 (0.56) NPC1RAB9APOLBPKMMEN1
SCHEMBL12327196 0.76 GLA (0.43) NPC1RAB9APKMMEN1KMT2A
SCHEMBL20376232 0.76 LIPC (0.38) CNR1CNR2KDM4CSOS1
SCHEMBL1241519 0.74 NPC1 (0.45) NPC1RAB9APOLBMEN1KMT2A
SCHEMBL1241609 0.73 AAK1 (0.46) MEN1KMT2AIDO1TDO2KDM4C
SCHEMBL1240818 0.73 ASPH (0.37) NPC1RAB9ACNR1CNR2MEN1
SCHEMBL22414312 0.73 RAB9A (0.44) NPC1RAB9APOLBKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138185-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-03-20 US disclosed
US-8138185-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-03-20 US disclosed
US-8138185-B2 Urea glucokinase activators NOVO NORDISK A/S (DK) 2012-03-20 US disclosed
US-20100009989-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-01-14 US disclosed
US-20100009989-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-01-14 US disclosed
US-20100009989-A1 Urea Glucokinase Activators NOVO NORDISK A/S (DK) 2010-01-14 US disclosed
EP-2118083-A1 UREA GLUCOKINASE ACTIVATORS Novo Nordisk A/S (DK) 2009-11-18 EP disclosed
WO-2008084043-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 WO disclosed
WO-2008084043-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2008-07-17 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-20100009989-A1 Urea Glucokinase Activators GCK, GCKR, HK2 NPC1 2846/4885RAB9A 3960/4885CNR1 4257/4885

“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.