SCHEMBL5518699

SCHEMBL5518699

CC(C)(C)NC(=O)c1cc(-c2ccc(NC(=O)OC(C)(C)C)cn2)n(-c2cnccn2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.42
CNR1 P21554 6/20 0.39
BCL2 P10415 1/20 0.36
CYP17A1 P05093 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
CNR2 P34972 4/20 0.34
CFTR P13569 1/20 0.34
SLC5A1 P13866 1/20 0.33
EGLN2 Q96KS0 1/20 0.33
MAPK14 Q16539 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL5522115 0.91 NAMPT (0.39) NAMPTCNR1BCL2CYP17A1GPR119
SCHEMBL4923338 0.90 NAMPT (0.41) NAMPTBCL2CYP17A1GPR119SLC5A1
SCHEMBL5524902 0.87 NAMPT (0.48) NAMPTCNR1BCL2CYP17A1GPR119
SCHEMBL4932007 0.86 NPC1 (0.41) NAMPTBCL2CYP17A1GPR119NPC1
SCHEMBL5525584 0.83 CNR1 (0.41) CNR1CNR2NPC1RAB9A
SCHEMBL5521796 0.82 CNR1 (0.41) CNR1CNR2
SCHEMBL4932361 0.82 CYP1A2 (0.38) NAMPTBCL2GPR119CFTR
SCHEMBL5519799 0.78 CNR1 (0.49) NAMPTCNR1BCL2CNR2
SCHEMBL14270461 0.76 RXFP1 (0.34) NPC1RAB9A
SCHEMBL4934933 0.76 NAMPT (0.48) NAMPTCNR1BCL2GPR119CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 NAMPT 2905/4885CNR1 76/4885BCL2 3148/4885

“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.