SCHEMBL478253

SCHEMBL478253

CCCCP(CCCC)c1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.39
TLR8 Q9NR97 2/20 0.38
ALOX15 P16050 3/20 0.38
CNR2 P34972 1/20 0.37
DHFR P00374 1/20 0.36
DNMT1 P26358 1/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR1B P28222 1/20 0.34
NPC1 O15118 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL29100398 0.96 TLR8 (0.40) CNR1TLR8ALOX15CNR2DHFR
SCHEMBL15658141 0.89 GAA (0.41) TLR8MEN1ALDH1A1RAB9AKMT2A
SCHEMBL3265241 0.84 TLR8 (0.40) CNR1TLR8CNR2MEN1ALDH1A1
SCHEMBL15660484 0.83 GAA (0.41) CNR1TLR8CNR2MEN1ALDH1A1
SCHEMBL15657877 0.83 GAA (0.41) CNR1TLR8CNR2MEN1ALDH1A1
SCHEMBL15659112 0.83 GAA (0.41) CNR1TLR8CNR2MEN1ALDH1A1
SCHEMBL15657108 0.79 MAPT (0.40) TLR8DNMT1ALDH1A1MAPTGAA
SCHEMBL8662481 0.79 HTR1B (0.40) CNR1TLR8CNR2MEN1ALDH1A1
SCHEMBL15657586 0.78 GAA (0.40) CNR1TLR8MEN1ALDH1A1RAB9A
SCHEMBL1933967 0.78 DNMT1 (0.39) DHFRDNMT1MEN1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 US disclosed
US-8785639-B2 Substituted dihydropyrazolo[3,4-D]pyrrolo[2,3-B]pyridines and methods of use thereof ABBVIE INC. (US) 2014-07-22 US disclosed
EP-2506713-A1 NOVEL TRICYCLIC COMPOUNDS Abbott Laboratories (US) 2012-10-10 EP disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
US-20110190489-A1 Novel Tricyclic Compounds ABBOTT LABORATORIES (US) 2011-08-04 US disclosed
WO-2011068899-A1 NOVEL TRICYCLIC COMPOUNDS ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
EP-1989194-B1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2010-08-25 EP disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 US disclosed
US-20090099207-A1 Cyclic sulfones useful as BACE inhibitors RUEEGER HEINRICH 2009-04-16 US disclosed
EP-1989194-A1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS Novartis AG (CH) 2008-11-12 EP disclosed
WO-2007093621-A1 CYCLIC SULFONES USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2007-08-23 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 (4 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 CNR1 709/4885TLR8 4384/4885ALOX15 2677/4885
US-20090099207-A1 Cyclic sulfones useful as BACE inhibitors BACE1, BACE2, APP CNR1 1827/4885TLR8 4703/4885ALOX15 2049/4885
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 CNR1 219/4885TLR8 1001/4885ALOX15 597/4885
US-20110190489-A1 Novel Tricyclic Compounds CCNI, IL2, IL4I1 CNR1 219/4885TLR8 1001/4885ALOX15 597/4885

“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.