SCHEMBL3094977

SCHEMBL3094977

Oc1ccnc(OCCC2CCOCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
CNR2 P34972 4/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
OPRL1 P41146 1/20 0.36
GCK P35557 1/20 0.35
FFAR1 O14842 1/20 0.35
GRM4 Q14833 1/20 0.34
PADI4 Q9UM07 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
RIPK2 O43353 1/20 0.34
ACACB O00763 1/20 0.34
GABRA5 P31644 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PDE2A O00408 1/20 0.33

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
SCHEMBL3099087 0.77 LNPEP (0.40) GCKPDE2A
SCHEMBL13096994 0.75 CHRNB4 (0.48) CNR1CNR2OPRL1ACACBNPC1
SCHEMBL13097262 0.71 CHRNB4 (0.46) GCKNPC1RAB9APDE2A
SCHEMBL16453463 0.71 CRHR1 (0.43) FFAR1ACACBNPC1RAB9A
SCHEMBL24556626 0.70 MAPK1 (0.39) PIK3CAGCKGRM4PADI4GABRA5
SCHEMBL15633158 0.69 IDO1 (0.43)
SCHEMBL16450592 0.69 ACACB (0.37) CNR1CNR2ACACB
SCHEMBL16453522 0.69 MEN1 (0.48) FFAR1ACACBNPC1RAB9A
SCHEMBL16453528 0.69 NOS3 (0.42) ACACB
SCHEMBL13097028 0.69 CNR2 (0.48) CNR1CNR2OPRL1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP disclosed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK CNR1 1403/4885CNR2 1111/4885PIK3CD 704/4885

“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.