SCHEMBL1166400

SCHEMBL1166400

CC(=O)c1ccc(Cn2cc(NC(=O)c3nc(C)oc3-c3cccc(-c4ccccc4)c3)cn2)o1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.67
HCRTR1 O43613 8/20 0.67
SCD O00767 5/20 0.44
SCD5 Q86SK9 5/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ITK Q08881 1/20 0.43

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
SCHEMBL1166992 0.94 HCRTR2 (0.64) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1167151 0.92 HCRTR2 (0.78) HCRTR2HCRTR1
SCHEMBL1166921 0.91 HCRTR2 (0.66) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1167173 0.91 HCRTR2 (0.66) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1167000 0.90 HCRTR2 (0.64) HCRTR2HCRTR1ALDH1A1
SCHEMBL1166720 0.89 HCRTR2 (0.63) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1167751 0.88 HCRTR2 (0.66) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1166786 0.87 HCRTR2 (0.62) HCRTR2HCRTR1SCDSCD5ALDH1A1
SCHEMBL1166303 0.87 HCRTR2 (0.63) HCRTR2HCRTR1ALDH1A1LMNAHTT
SCHEMBL1166423 0.87 HCRTR2 (0.85) HCRTR2HCRTR1

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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 HCRTR2 2700/4885HCRTR1 2862/4885SCD 4685/4885

“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.