SCHEMBL5348782

SCHEMBL5348782

CN1CCN(CCCOc2cccc(CC(=O)O)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.56
HRH3 Q9Y5N1 2/20 0.55
DRD3 P35462 1/20 0.55
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 4/20 0.55
KMT2A Q03164 3/20 0.55
PLA2G4B P0C869 1/20 0.53
SIGMAR1 Q99720 1/20 0.53
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
MEN1 O00255 2/20 0.52
ABCB1 P08183 1/20 0.52
MAOB P27338 1/20 0.52
FAAH O00519 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
EPHX2 P34913 1/20 0.51

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
SCHEMBL30696817 0.84 EPHX2 (0.56) KDM4EALDH1A1KMT2APLA2G4BSIGMAR1
SCHEMBL13357664 0.82 HRH3 (0.58) ROCK1HRH3DRD3KDM4EALDH1A1
SCHEMBL30696767 0.81 EPHX2 (0.58) KDM4EPLA2G4BSIGMAR1MAOBFAAH
SCHEMBL1567510 0.81 EPHX2 (0.56) ROCK1HRH3KMT2ASIGMAR1MEN1
SCHEMBL25081989 0.81 PLA2G4B (0.64) PLA2G4B
SCHEMBL30278807 0.81 PLA2G4B (0.64) PLA2G4B
SCHEMBL25081990 0.81 PLA2G4B (0.68) KDM4EALDH1A1PLA2G4B
SCHEMBL30278815 0.81 PLA2G4B (0.68) KDM4EALDH1A1PLA2G4B
SCHEMBL10222197 0.81 PPARG (0.58) ROCK1KDM4EPLA2G4BMAOB
SCHEMBL4629303 0.80 KDM4E (0.67) ROCK1KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
US-7157476-B2 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-01-02 US disclosed
EP-1660467-A2 AMINOFURAZAN COMPOUNDS AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2006-05-31 EP disclosed
US-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2005-07-07 US disclosed
WO-2005019190-A2 (4 -AMINO -1,2, 5-OXADIAZOL-4-YL) -HETΞROAROMATIC COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-03-03 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-20050148640-A1 Aminofurazan compounds useful as protein kinase inhibitors PHKG1, MAP3K20, MAP3K5 ROCK1 542/4885HRH3 3439/4885DRD3 4883/4885

“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.