SCHEMBL4139216

SCHEMBL4139216

Brc1ccc(CNC2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.49
ACHE P22303 3/20 0.48
BCHE P06276 2/20 0.48
BACE1 P56817 2/20 0.48
FPR3 P25089 2/20 0.47
FPR2 P25090 2/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.46
KDM1A O60341 1/20 0.44
HDAC1 Q13547 1/20 0.43
GRIN2B Q13224 1/20 0.42
SOS1 Q07889 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
MGAM O43451 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
SCHEMBL1241255 0.87 RAB9A (0.58) HRH3ACHEBCHEBACE1MEN1
Trifluoroacetic Acid SCHEMBL5011852 0.86 FPR3 (0.47) HRH3ACHEBCHEBACE1FPR3
SCHEMBL23124659 0.83 HRH3 (0.63) HRH3ACHEBCHEBACE1MEN1
SCHEMBL11431895 0.83 HRH3 (0.69) HRH3ACHEBCHEBACE1MEN1
SCHEMBL6073299 0.82 HRH3 (0.49) HRH3ACHEBCHEBACE1MEN1
SCHEMBL3355681 0.82 BCHE (0.54) HRH3ACHEBCHEBACE1MEN1
SCHEMBL3359770 0.82 POLB (0.69) HRH3ACHEBCHEBACE1MEN1
SCHEMBL24392683 0.82 HRH3 (0.49) HRH3ACHEBCHEBACE1MEN1
SCHEMBL1586716 0.82 HRH3 (0.49) HRH3ACHEBCHEBACE1MEN1
SCHEMBL6224747 0.81 HRH3 (0.72) HRH3ACHEBCHEBACE1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104016977-B A kind of replacement thiadiazine diketone derivative and preparation method thereof and application 山东大学 2016-06-22 CN disclosed
CN-104016977-A Substituted thiadiazine diketone derivative as well as preparation method and application thereof UNIV SHANDONG 2014-09-03 CN disclosed
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS TALAMAS FRANCISCO XAVIER 2009-05-07 US disclosed
EP-2010527-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY Neuraxon Inc. (CA) 2009-01-07 EP disclosed
EP-1888528-A2 PHOSPHODIESTERASE 4 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-02-20 EP disclosed
WO-2007118314-A1 1,5 AND 3,6- SUBSTITUTED INDOLE COMPOUNDS HAVING NOS INHIBITORY ACTIVITY NEURAXON, INC. (CA) 2007-10-25 WO disclosed
US-20070049611-A1 Phosphodiesterase 4 inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US disclosed
WO-2006135828-A2 TRISUBSTITUTED AMINES AS PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2006-12-21 WO disclosed
EP-1299357-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2003-04-09 EP disclosed
WO-2001098273-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-12-27 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 (2 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-20070049611-A1 Phosphodiesterase 4 inhibitors PDE4A, PDE3B, PDE4B HRH3 1541/4885ACHE 147/4885BCHE 560/4885
US-20090118270-A1 PHOSPHODIESTERASE 4 INHIBITORS PDE4A, PDE3B, PDE4B HRH3 1541/4885ACHE 147/4885BCHE 560/4885

“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.