SCHEMBL2334175

SCHEMBL2334175

CC(=O)CCCCn1ncc(C(N)=O)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.36
RXFP1 Q9HBX9 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 2/20 0.36
NFKB1 P19838 2/20 0.36
ACHE P22303 2/20 0.36
PMP22 Q01453 2/20 0.36
USP2 O75604 1/20 0.36
TNF P01375 1/20 0.36
TSHR P16473 1/20 0.36
ADORA2B P29275 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PAOX Q6QHF9 2/20 0.35
MAPK1 P28482 1/20 0.35
ESR1 P03372 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 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
SCHEMBL2334179 0.81 PAOX (0.37) PDE4ARXFP1PDE4BPDE4CPDE4D
SCHEMBL30281078 0.80 TGFBR1 (0.33) TSHRKCNA5GRM2
SCHEMBL2331495 0.78 KMT2A (0.32) KCNA5TBXAS1
SCHEMBL2644219 0.75 ADORA3 (0.34) LMNATSHRMAPK1MAPTALDH1A1
SCHEMBL2327599 0.74 LMNA (0.36) PDE4ARXFP1PDE4BPDE4CPDE4D
SCHEMBL2818118 0.73 CYP1A2 (0.41) PDE4ARXFP1PDE4BPDE4CPDE4D
SCHEMBL30209668 0.72 KMT2A (0.36) TSHRKCNA5GRM2
SCHEMBL29096880 0.72 GLA (0.42) LMNATSHRKCNA5GRM2
SCHEMBL20139438 0.71 KCNA5 (0.37) LMNATSHRMAPK1MAPTKCNA5
SCHEMBL2644600 0.69

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
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
JP-4656674-B2 2011-03-23 JP claimed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US claimed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP claimed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO claimed
US-8536209-B2 Aminotriazole derivatives as ALX agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-09-17 US disclosed
US-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION (CH) 2010-12-30 US disclosed
EP-2225231-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2010-09-08 EP disclosed
WO-2009077990-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 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-20100331378-A1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ADORA1, ADORA3, TBXA2R PDE4A 889/4885RXFP1 397/4885PDE4B 962/4885

“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.