SCHEMBL5859617

SCHEMBL5859617

CN(c1ccccc1C(=O)Nc1ccc2[nH]ncc2c1)C1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
RAB9A P51151 6/20 0.56
JAK2 O60674 5/20 0.56
JAK1 P23458 4/20 0.56
S1PR1 P21453 1/20 0.54
MAOB P27338 1/20 0.52
POLB P06746 2/20 0.51
ROCK2 O75116 5/20 0.50
ROCK1 Q13464 5/20 0.50
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
TMIGD3 P0DMS9 1/20 0.47
ADORA1 P30542 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL5859622 0.78 JAK2 (0.67) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL5422010 0.74 POLB (0.79) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL25131975 0.73 NPC1 (0.75) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL15764662 0.73 NPC1 (1.00) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL15764656 0.73 NPC1 (0.81) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL15764657 0.73 JAK2 (1.00) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL27075082 0.72 ROCK2 (0.46) RAB9AJAK2S1PR1ROCK2ROCK1
SCHEMBL15764666 0.72 NPC1 (0.81) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL7261149 0.70 NPC1 (0.68) NPC1RAB9AJAK2JAK1MAOB
SCHEMBL2928696 0.70 NPC1 (0.51) NPC1RAB9AJAK2JAK1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7012081-B2 Anthranyl amides and their use as medicaments SCHERING AG (DE) 2006-03-14 US disclosed
US-20050261343-A1 Anthranilamides and their use as pharmaceutical agents BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2005-11-24 US disclosed
US-20040029880-A1 Anthranyl amides and their use as medicaments BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-02-12 US disclosed
EP-1280762-A2 ANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2003-02-05 EP disclosed
WO-2001085671-A2 ANTHRANYL AMIDES AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT (DE) 2001-11-15 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-20050261343-A1 Anthranilamides and their use as pharmaceutical agents AADAC, ANTXR2, VEGFA NPC1 3872/4885RAB9A 2554/4885JAK2 864/4885
US-20040029880-A1 Anthranyl amides and their use as medicaments AADAC, ANTXR2, VEGFA NPC1 3762/4885RAB9A 3402/4885JAK2 1257/4885

“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.