SCHEMBL3390564

SCHEMBL3390564

O=C(O)C(=CC1CCOCC1)c1ccc(Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
GCK P35557 1/20 0.41
AKR1C3 P42330 2/20 0.40
PHGDH O43175 1/20 0.39
CYP1A2 P05177 1/20 0.39
MGLL Q99685 1/20 0.38
GPR183 P32249 1/20 0.38
KCNH2 Q12809 1/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
MPI P34949 1/20 0.38
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL3390559 1.00 NPC1 (0.41) NPC1RAB9AGCKAKR1C3PHGDH
SCHEMBL2665989 0.85 GCK (0.41) GCKKMT2A
SCHEMBL1581915 0.84 RAB9A (0.41) NPC1RAB9AAKR1C3CYP1A2LMNA
SCHEMBL1581911 0.84 RAB9A (0.41) NPC1RAB9AAKR1C3CYP1A2LMNA
SCHEMBL2665988 0.81 GCK (0.39) GCKPHGDHKMT2A
SCHEMBL3393075 0.81 ALDH1A1 (0.45) NPC1RAB9AGCKAKR1C3MAPT
SCHEMBL3393082 0.81 ALDH1A1 (0.45) NPC1RAB9AGCKAKR1C3MAPT
SCHEMBL3389283 0.81 AKR1C3 (0.47) RAB9AGCKAKR1C3MAPTLMNA
SCHEMBL3389287 0.81 AKR1C3 (0.47) RAB9AGCKAKR1C3MAPTLMNA
SCHEMBL2650569 0.80 GCK (0.61) GCKAKR1C3

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
EP-2168962-A2 PHENYLACETAMIDES AND THEIR USE AS GLUCOKINASE MODULATORS Prosidion Limited (GB) 2010-03-31 EP disclosed
US-7582632-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2009-09-01 US disclosed
US-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS OSI PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-7214681-B2 Tri(cyclo) substituted amide compounds PROSIDION LIMITED (GB) 2007-05-08 US 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-20070281946-A1 TRI(CYCLO) SUBSTITUTED AMIDE COMPOUNDS IAPP, GPR119, SLC5A1 NPC1 733/4885RAB9A 3057/4885GCK 70/4885

“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.